2-(3,5-dimethylpyrazol-1-yl)benzoic acid

C12H12N2O2 — CID 2771849

IUPAC2-(3,5-dimethylpyrazol-1-yl)benzoic acid
SMILESCc1cc(C)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C12H12N2O2/c1-8-7-9(2)14(13-8)11-6-4-3-5-10(11)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyLTPVMKDDNQWFOG-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)benzoic acid

2-(3,5-dimethylpyrazol-1-yl)benzoic acid (PubChem CID 2771849) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)benzoic acid
PubChem CID2771849
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)benzoic acid
SMILESCc1cc(C)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C12H12N2O2/c1-8-7-9(2)14(13-8)11-6-4-3-5-10(11)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeyLTPVMKDDNQWFOG-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethylpyrazol-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 2-(3,5-dimethylpyrazol-1-yl)benzoic acid?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)benzoic acid (CID 2771849) is 2-(3,5-dimethylpyrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)benzoic acid?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)benzoic acid is Cc1cc(C)n(-c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)benzoic acid?
The InChIKey is LTPVMKDDNQWFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-7-9(2)14(13-8)11-6-4-3-5-10(11)12(15)16/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)benzoic acid?
2-(3,5-dimethylpyrazol-1-yl)benzoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)benzoic acid is sourced from PubChem (CID 2771849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).