3-(1H-pyrazol-5-yl)benzoic acid

C10H8N2O2 — CID 2795542

IUPAC3-(1H-pyrazol-5-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)(H,13,14)
InChIKeyRXZRBZWATRFHCS-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.77
Rot. Bonds2

About 3-(1H-pyrazol-5-yl)benzoic acid

3-(1H-pyrazol-5-yl)benzoic acid (PubChem CID 2795542) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)benzoic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)benzoic acid
PubChem CID2795542
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-(1H-pyrazol-5-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ccn[nH]2)c1
InChIInChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)(H,13,14)
InChIKeyRXZRBZWATRFHCS-UHFFFAOYSA-N
XLogP1.77
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1H-pyrazol-5-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

Related Compounds

Pyrazole-5-carboxylic acid, 3-phenyl-
CID 121025
5-phenethyl-1H-pyrazole-3-carboxylic Acid
CID 11830866
3-benzyl-1H-pyrazole-5-carboxylic acid
CID 11041813
3-(4-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 818267
5-(2,4-Dimethylphenyl)-1H-pyrazole-3-carboxylic acid
CID 4274816
3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 4598704
3-(1H-pyrazol-4-yl)benzoic Acid
CID 7174253
3-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 3465472
3-phenyl-1H-pyrazole-4-carboxylic acid
CID 4138562
3-(6-fluoro-1H-indazol-3-yl)benzoic acid
CID 164610505
3-(4-ethylphenyl)-1H-pyrazole-5-carboxylic acid
CID 3524248
4-phenyl-1H-pyrazole-3-carboxylic acid
CID 347194

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)benzoic acid?
The IUPAC name of 3-(1H-pyrazol-5-yl)benzoic acid (CID 2795542) is 3-(1H-pyrazol-5-yl)benzoic acid.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)benzoic acid?
The canonical SMILES for 3-(1H-pyrazol-5-yl)benzoic acid is O=C(O)c1cccc(-c2ccn[nH]2)c1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)benzoic acid?
The InChIKey is RXZRBZWATRFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12)(H,13,14).
What are the key properties of 3-(1H-pyrazol-5-yl)benzoic acid?
3-(1H-pyrazol-5-yl)benzoic acid has a molecular weight of 188.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)benzoic acid is sourced from PubChem (CID 2795542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).