2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid

C13H12ClN3O3 — CID 66128180

IUPAC2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C(=O)O)n(C)n1
InChIInChI=1S/C13H12ClN3O3/c1-7-6-10(17(2)16-7)12(18)15-9-5-3-4-8(14)11(9)13(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20)
InChIKeyMYGFHLHAFQIGLQ-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid

2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid (PubChem CID 66128180) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
PubChem CID66128180
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C(=O)O)n(C)n1
InChIInChI=1S/C13H12ClN3O3/c1-7-6-10(17(2)16-7)12(18)15-9-5-3-4-8(14)11(9)13(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20)
InChIKeyMYGFHLHAFQIGLQ-UHFFFAOYSA-N
XLogP2.33
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 107800757
2-chloro-6-[(3-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 63722414
N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103943483
2-chloro-6-[(3-methylbenzoyl)amino]benzoic acid
CID 63723600
2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 66127110
2-chloro-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]benzoic acid
CID 63722587
2-chloro-6-[(3,5-dichlorobenzoyl)amino]benzoic acid
CID 63724110
5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 66128596
2-[(3-amino-4-methylbenzoyl)amino]-6-chlorobenzoic acid
CID 63723613
2-chloro-6-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 63724956
N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 68895617
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid (CID 66128180) is 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid is Cc1cc(C(=O)Nc2cccc(Cl)c2C(=O)O)n(C)n1.
What is the InChIKey of 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid?
The InChIKey is MYGFHLHAFQIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-7-6-10(17(2)16-7)12(18)15-9-5-3-4-8(14)11(9)13(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid?
2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid has a molecular weight of 293.71 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 66128180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).