3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid

C12H10ClN3O3 — CID 107046486

IUPAC3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
SMILESCc1[nH]ncc1C(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C12H10ClN3O3/c1-6-8(5-14-16-6)11(17)15-10-7(12(18)19)3-2-4-9(10)13/h2-5H,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyPQIPOJACEXRVMD-UHFFFAOYSA-N
MW279.68 g/mol
LogP2.32
Rot. Bonds3

About 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid

3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid (PubChem CID 107046486) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
PubChem CID107046486
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid
SMILESCc1[nH]ncc1C(=O)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C12H10ClN3O3/c1-6-8(5-14-16-6)11(17)15-10-7(12(18)19)3-2-4-9(10)13/h2-5H,1H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyPQIPOJACEXRVMD-UHFFFAOYSA-N
XLogP2.32
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(2-methylbenzoyl)amino]benzoic acid
CID 23208226
N-(2,6-dibromophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107602580
(2R)-2-(2-chlorophenyl)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]acetic acid
CID 107314362
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
N-(2-chloro-4,6-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 83088170
3-chloro-2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 107047411
N-(2-acetylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998634
2-[(5-bromo-2-chlorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046721
3-chloro-2-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 107046881
3-chloro-2-[[4-(hydroxymethyl)benzoyl]amino]benzoic acid
CID 107046744
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
N-(2,5-dichloro-4-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 104727965

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid (CID 107046486) is 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid is Cc1[nH]ncc1C(=O)Nc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid?
The InChIKey is PQIPOJACEXRVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c1-6-8(5-14-16-6)11(17)15-10-7(12(18)19)3-2-4-9(10)13/h2-5H,1H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid?
3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid has a molecular weight of 279.68 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 107046486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).