4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid

C12H8BrClN4O4 — CID 68886230

IUPAC4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid
SMILESNC(=O)n1nc(C(=O)O)c(Br)c1NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H8BrClN4O4/c13-7-8(11(20)21)17-18(12(15)22)9(7)16-10(19)5-3-1-2-4-6(5)14/h1-4H,(H2,15,22)(H,16,19)(H,20,21)
InChIKeyOQQCXSHBOZATPA-UHFFFAOYSA-N
MW387.58 g/mol
LogP2.18
Rot. Bonds3

About 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid

4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid (PubChem CID 68886230) has the molecular formula C12H8BrClN4O4 and a molecular weight of 387.58 g/mol. Its IUPAC name is 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid
PubChem CID68886230
Molecular FormulaC12H8BrClN4O4
Molecular Weight387.58 g/mol
Exact Mass385.94
IUPAC Name4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid
SMILESNC(=O)n1nc(C(=O)O)c(Br)c1NC(=O)c1ccccc1Cl
InChIInChI=1S/C12H8BrClN4O4/c13-7-8(11(20)21)17-18(12(15)22)9(7)16-10(19)5-3-1-2-4-6(5)14/h1-4H,(H2,15,22)(H,16,19)(H,20,21)
InChIKeyOQQCXSHBOZATPA-UHFFFAOYSA-N
XLogP2.18
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.58
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-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

4-bromo-5-[(2-chlorobenzoyl)amino]-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 69153621
1-tert-butyl-5-[(2-chlorobenzoyl)amino]-4-methylpyrazole-3-carboxylic acid
CID 59773332
5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 68759354
N-(2-aminophenyl)-2-chlorobenzamide
CID 684680
N-[(3R)-azepan-3-yl]-4-bromo-5-[(2-chlorobenzoyl)amino]-1-methylpyrazole-3-carboxamide
CID 59773409
4-bromo-5-[(2-chlorobenzoyl)amino]-N-(2-oxoazepan-3-yl)-1-phenylpyrazole-3-carboxamide
CID 11432555
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
5-bromo-2-(2-chlorophenyl)triazole-4-carboxylic acid
CID 97057737
4-bromo-5-[(2-chlorobenzoyl)amino]-1-methyl-N-[(3R)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 58770197
1-(2-chlorobenzoyl)-N-phenylindazole-3-carboxamide
CID 56680164
2-chloro-N-(2-ethenyltetrazol-5-yl)benzamide
CID 17162632
1-[4-[(2-chlorobenzoyl)amino]phenyl]imidazole-4,5-dicarboxamide
CID 118419330

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid?
The IUPAC name of 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid (CID 68886230) is 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid?
The canonical SMILES for 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid is NC(=O)n1nc(C(=O)O)c(Br)c1NC(=O)c1ccccc1Cl.
What is the InChIKey of 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid?
The InChIKey is OQQCXSHBOZATPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4O4/c13-7-8(11(20)21)17-18(12(15)22)9(7)16-10(19)5-3-1-2-4-6(5)14/h1-4H,(H2,15,22)(H,16,19)(H,20,21).
What are the key properties of 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid?
4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid has a molecular weight of 387.58 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-carbamoyl-5-[(2-chlorobenzoyl)amino]pyrazole-3-carboxylic acid is sourced from PubChem (CID 68886230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).