Research chemical
CAS Number: 1005126-04-4
![1,5-dimethyl-3-(4-nitrophenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione molecular structure, CAS 1005126-04-4](/structure-images/1005126-04-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16456073
Exact Mass
290.101505
InChIKey
GTXWHSJHZYYLNH-UHFFFAOYSA-N
IUPAC Name
1,5-dimethyl-3-(4-nitrophenyl)-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
SMILES String
CN1C(=O)C2C(c3ccc([N+](=O)[O-])cc3)NN(C)C2C1=O
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.
1,5-dimethyl-3-(4-nitrophenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione is identified by CAS 1005126-04-4, with molecular formula C13H14N4O4, molecular weight 290.27, InChIKey GTXWHSJHZYYLNH-UHFFFAOYSA-N.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
0.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
21
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
2
Ring count
3
Aromatic rings
1
Topological polar surface area
95.79 Ų
Computed LogP
0.07
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
1,5-dimethyl-3-(4-nitrophenyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione (CAS 1005126-04-4) is listed in the Advanced Chemicals portfolio, with molecular formula C13H14N4O4 and molecular weight 290. 27 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestShipment documentation review: By request