5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid

C12H10ClN3O3 — CID 68759354

IUPAC5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H10ClN3O3/c1-16-10(6-9(15-16)12(18)19)14-11(17)7-4-2-3-5-8(7)13/h2-6H,1H3,(H,14,17)(H,18,19)
InChIKeyLDYUIFAMGAUKLB-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.02
Rot. Bonds3

About 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid

5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid (PubChem CID 68759354) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
PubChem CID68759354
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H10ClN3O3/c1-16-10(6-9(15-16)12(18)19)14-11(17)7-4-2-3-5-8(7)13/h2-6H,1H3,(H,14,17)(H,18,19)
InChIKeyLDYUIFAMGAUKLB-UHFFFAOYSA-N
XLogP2.02
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic 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

5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602
5-[(2-chlorobenzoyl)amino]-N-(2-hydroxypropyl)-1-methylpyrazole-3-carboxamide
CID 75767511
ethyl 5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylate
CID 23630616
1-[3-[(2-chlorobenzoyl)amino]phenyl]pyrazole-3-carboxylic acid
CID 75417973
5-[[2-chloro-4-(trifluoromethyl)benzoyl]amino]-1-phenylpyrazole-3-carboxylic acid
CID 118392848
5-[2-(tert-butylsulfamoyl)-4-[(2-chlorobenzoyl)amino]phenoxy]-1-methylpyrazole-3-carboxylic acid
CID 91633234
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916
2,5-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 45284555
2-[(2,5-dimethylpyrazol-3-yl)carbamoyl]benzoate
CID 6930153
2-chloro-N-[1-(2,6-dimethylphenyl)pyrazol-3-yl]benzamide
CID 90096262

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid (CID 68759354) is 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is LDYUIFAMGAUKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-16-10(6-9(15-16)12(18)19)14-11(17)7-4-2-3-5-8(7)13/h2-6H,1H3,(H,14,17)(H,18,19).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid?
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 279.68 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 68759354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).