Research chemical
CAS Number: 489451-12-9
![N-[3-(aminocarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide molecular structure, CAS 489451-12-9](/structure-images/489451-12-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4083090
Exact Mass
587.02721
InChIKey
RYZQQEMEFMOCFZ-UHFFFAOYSA-N
IUPAC Name
3-bromo-N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILES String
CC1CCc2c(sc(NC(=O)c3nn4c(c3Br)NC(c3cccs3)CC4C(F)(F)F)c2C(N)=O)C1
No physical property values available.
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.
N-[3-(aminocarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is identified by CAS 489451-12-9, with molecular formula C22H21BrF3N5O2S2, molecular weight 588.5, InChIKey RYZQQEMEFMOCFZ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
35
H-bond acceptors
7
H-bond donors
4
Rotatable bonds
4
Ring count
5
Aromatic rings
3
Topological polar surface area
102.04 Ų
Computed LogP
5.9
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
50 g/mol, PubChem CID 4083090.
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.
Safety and handling reference content is available through documentation requests.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.