2-(3-Chloro-4-cyanophenyl)-3-cyclopropyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole-7-carboxylic acid

HCID 59429406
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4OCC3C2C2CC2)cc1Cl
InChIKey
RARJVARVYMIJPV-UHFFFAOYSA-N
Molecular formula
C21H16ClN3O3
Average molar mass
393.8 g/mol

Names & identifiers

Preferred name
2-(3-Chloro-4-cyanophenyl)-3-cyclopropyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole-7-carboxylic acid
IUPAC
2-(3-chloro-4-cyanophenyl)-3-cyclopropyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-7-carboxylic acid

Names & synonyms

SCHEMBL551077RARJVARVYMIJPV-UHFFFAOYSA-N2-(3-chloro-4-cyanophenyl)-3-cyclopropyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole-7-carboxylic acid

Database identifiers

PubChem CID
59429406

Properties

Computed structural properties

XLogP
4
Topological polar surface area
85.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
28

Related reactions

1 records
New reaction record

Linked notes

Loading…