5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid

C11H8ClN3O3 — CID 110483619

IUPAC5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid
SMILESO=C(Nc1[nH]ncc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H8ClN3O3/c12-7-3-1-2-6(4-7)10(16)14-9-8(11(17)18)5-13-15-9/h1-5H,(H,17,18)(H2,13,14,15,16)
InChIKeyNVHIOBKXZSBBQG-UHFFFAOYSA-N
MW265.66 g/mol
LogP2.01
Rot. Bonds3

About 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid

5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid (PubChem CID 110483619) has the molecular formula C11H8ClN3O3 and a molecular weight of 265.66 g/mol. Its IUPAC name is 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid
PubChem CID110483619
Molecular FormulaC11H8ClN3O3
Molecular Weight265.66 g/mol
Exact Mass265.03
IUPAC Name5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid
SMILESO=C(Nc1[nH]ncc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C11H8ClN3O3/c12-7-3-1-2-6(4-7)10(16)14-9-8(11(17)18)5-13-15-9/h1-5H,(H,17,18)(H2,13,14,15,16)
InChIKeyNVHIOBKXZSBBQG-UHFFFAOYSA-N
XLogP2.01
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 28667452
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3,5-dichloro-4-[(3-chlorobenzoyl)amino]benzoic acid
CID 82811022
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026
5-(1H-indole-2-carbonylamino)-1H-pyrazole-4-carboxylic acid
CID 110481756
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
5-(oxaloamino)-1H-pyrazole-4-carboxylic acid
CID 45089514
5-[(3-chlorobenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773841
3-chloro-N-(5-phenyl-1H-1,2,4-triazol-3-yl)benzamide
CID 17410284
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid (CID 110483619) is 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid is O=C(Nc1[nH]ncc1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid?
The InChIKey is NVHIOBKXZSBBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O3/c12-7-3-1-2-6(4-7)10(16)14-9-8(11(17)18)5-13-15-9/h1-5H,(H,17,18)(H2,13,14,15,16).
What are the key properties of 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid?
5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid has a molecular weight of 265.66 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorobenzoyl)amino]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 110483619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).