2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid

C13H12ClN3O3 — CID 61398585

IUPAC2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
SMILESCc1c(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cnn1C
InChIInChI=1S/C13H12ClN3O3/c1-7-10(6-15-17(7)2)12(18)16-8-3-4-9(13(19)20)11(14)5-8/h3-6H,1-2H3,(H,16,18)(H,19,20)
InChIKeySZGRSZRACHGULQ-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.33
Rot. Bonds3

About 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid

2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid (PubChem CID 61398585) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
PubChem CID61398585
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
SMILESCc1c(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cnn1C
InChIInChI=1S/C13H12ClN3O3/c1-7-10(6-15-17(7)2)12(18)16-8-3-4-9(13(19)20)11(14)5-8/h3-6H,1-2H3,(H,16,18)(H,19,20)
InChIKeySZGRSZRACHGULQ-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-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
2-chloro-4-[(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515648
2-chloro-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]benzoic acid
CID 120515659
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2-chloro-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoic acid
CID 106042702
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63020357
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846
N-(2,5-dichlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 110864104
2-chloro-4-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66336452
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid (CID 61398585) is 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid is Cc1c(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cnn1C.
What is the InChIKey of 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid?
The InChIKey is SZGRSZRACHGULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-7-10(6-15-17(7)2)12(18)16-8-3-4-9(13(19)20)11(14)5-8/h3-6H,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid?
2-chloro-4-[(1,5-dimethylpyrazole-4-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-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 61398585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).