2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid

C12H11N3O3 — CID 60778421

IUPAC2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid
SMILESCc1c(NC(=O)c2ccn[nH]2)cccc1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-7-8(12(17)18)3-2-4-9(7)14-11(16)10-5-6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyGHWANPYNWWMECC-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.67
Rot. Bonds3

About 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid

2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid (PubChem CID 60778421) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid
PubChem CID60778421
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid
SMILESCc1c(NC(=O)c2ccn[nH]2)cccc1C(=O)O
InChIInChI=1S/C12H11N3O3/c1-7-8(12(17)18)3-2-4-9(7)14-11(16)10-5-6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyGHWANPYNWWMECC-UHFFFAOYSA-N
XLogP1.67
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(1H-pyrazole-5-carbonylamino)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

3-methyl-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 43358363
2-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 61259573
2-methyl-3-(1H-pyrazol-5-ylmethylamino)benzoic acid
CID 43737364
5-iodo-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63111258
4-amino-2-(1H-pyrazole-5-carbonylamino)benzoic acid
CID 63116138
N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 47177311
3-(methoxycarbonylamino)-2-methylbenzoic acid
CID 62947415
3-[(2-fluoropyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 61295104
2-methyl-3-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 60748960
2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid?
The IUPAC name of 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid (CID 60778421) is 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid.
What is the SMILES notation for 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid?
The canonical SMILES for 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid is Cc1c(NC(=O)c2ccn[nH]2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid?
The InChIKey is GHWANPYNWWMECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-8(12(17)18)3-2-4-9(7)14-11(16)10-5-6-13-15-10/h2-6H,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid?
2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid has a molecular weight of 245.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1H-pyrazole-5-carbonylamino)benzoic acid is sourced from PubChem (CID 60778421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).