4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid

C18H12N4O3 — CID 59477597

IUPAC4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)cc2)nc1NC(=O)c1ccccc1
InChIInChI=1S/C18H12N4O3/c19-10-14-11-22(15-8-6-13(7-9-15)18(24)25)21-16(14)20-17(23)12-4-2-1-3-5-12/h1-9,11H,(H,24,25)(H,20,21,23)
InChIKeyAQOQAAHHCCLHCQ-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.69
Rot. Bonds4

About 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid

4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid (PubChem CID 59477597) has the molecular formula C18H12N4O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid
PubChem CID59477597
Molecular FormulaC18H12N4O3
Molecular Weight332.32 g/mol
Exact Mass332.09
IUPAC Name4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)cc2)nc1NC(=O)c1ccccc1
InChIInChI=1S/C18H12N4O3/c19-10-14-11-22(15-8-6-13(7-9-15)18(24)25)21-16(14)20-17(23)12-4-2-1-3-5-12/h1-9,11H,(H,24,25)(H,20,21,23)
InChIKeyAQOQAAHHCCLHCQ-UHFFFAOYSA-N
XLogP2.69
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid?
The IUPAC name of 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid (CID 59477597) is 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid?
The canonical SMILES for 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid is N#Cc1cn(-c2ccc(C(=O)O)cc2)nc1NC(=O)c1ccccc1.
What is the InChIKey of 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid?
The InChIKey is AQOQAAHHCCLHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3/c19-10-14-11-22(15-8-6-13(7-9-15)18(24)25)21-16(14)20-17(23)12-4-2-1-3-5-12/h1-9,11H,(H,24,25)(H,20,21,23).
What are the key properties of 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid?
4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid has a molecular weight of 332.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzamido-4-cyanopyrazol-1-yl)benzoic acid is sourced from PubChem (CID 59477597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).