Research chemical
CAS Number: 489451-74-3
![N-[3-bromo-1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide molecular structure, CAS 489451-74-3](/structure-images/489451-74-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3569170
Exact Mass
633.98981
InChIKey
DEFUMDJRPOBKDN-UHFFFAOYSA-N
IUPAC Name
N-[3-bromo-1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-15-chloro-11-(trifluoromethyl)-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,13,15-heptaene-14-carboxamide
SMILES String
O=C(Nc1cn(Cc2ccc(Cl)cc2)nc1Br)c1nn2c(C(F)(F)F)c3c(nc2c1Cl)-c1ccccc1CC3
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-bromo-1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide is identified by CAS 489451-74-3, with molecular formula C26H16BrCl2F3N6O, molecular weight 636.2, InChIKey DEFUMDJRPOBKDN-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
39
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
4
Ring count
6
Aromatic rings
5
Topological polar surface area
77.11 Ų
Computed LogP
7.08
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
N-[3-bromo-1-(4-chlorobenzyl)-1H-pyrazol-4-yl]-11-chloro-7-(trifluoromethyl)-5,6-dihydrobenzo[h]pyrazolo[5,1-b]quinazoline-10-carboxamide (CAS 489451-74-3) is maintained as a commercial cas reference with formula C26H16BrCl2F3N6O, molecular weight 636.
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.
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