Research chemical
CAS Number: 1095378-92-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
944814
Exact Mass
314.082205
InChIKey
GOFMZYXSJNCELR-UHFFFAOYSA-N
IUPAC Name
2-[4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-5-methoxyphenol
SMILES String
COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
2-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)-5-methoxyphenol is identified by CAS 1095378-92-9, with molecular formula C17H15ClN2O2, molecular weight 314.8, InChIKey GOFMZYXSJNCELR-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cannabinoid receptor 1, Nuclear receptor ROR-gamma, Cannabinoid receptor 2, Streptokinase A, Polyunsaturated fatty acid lipoxygenase ALOX12. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
22
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
3
Ring count
3
Aromatic rings
3
Topological polar surface area
58.14 Ų
Computed LogP
4.42
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
2-(4-(4-chlorophenyl)-5-methyl-1H-pyrazol-3-yl)-5-methoxyphenol (CAS 1095378-92-9) is maintained as a commercial cas reference with formula C17H15ClN2O2, molecular weight 314. 80 g/mol, PubChem CID 944814.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Cannabinoid receptor 1 (Homo sapiens) — 2 assays; Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Cannabinoid receptor 2 (Homo sapiens) — 2 assays; Streptokinase A (Streptococcus pyogenes serotype M1) — 2 assays; Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cannabinoid receptor 1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 6.26
Experimental evidence source: ChEMBL
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.4
Experimental evidence source: ChEMBL
Cannabinoid receptor 2
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.32
Experimental evidence source: ChEMBL
Streptokinase A
Streptococcus pyogenes serotype M1 · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.19
Experimental evidence source: ChEMBL
Polyunsaturated fatty acid lipoxygenase ALOX12
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.85
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.