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

C11H8ClN3O4 — CID 64528240

IUPAC3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H8ClN3O4/c12-6-3-5(1-2-8(6)16)10(17)13-9-4-7(11(18)19)14-15-9/h1-4,16H,(H,18,19)(H2,13,14,15,17)
InChIKeyPJGCZZUUEJFWIY-UHFFFAOYSA-N
MW281.66 g/mol
LogP1.72
Rot. Bonds3

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

3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64528240) has the molecular formula C11H8ClN3O4 and a molecular weight of 281.66 g/mol. Its IUPAC name is 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
PubChem CID64528240
Molecular FormulaC11H8ClN3O4
Molecular Weight281.66 g/mol
Exact Mass281.02
IUPAC Name3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(Nc1cc(C(=O)O)[nH]n1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H8ClN3O4/c12-6-3-5(1-2-8(6)16)10(17)13-9-4-7(11(18)19)14-15-9/h1-4,16H,(H,18,19)(H2,13,14,15,17)
InChIKeyPJGCZZUUEJFWIY-UHFFFAOYSA-N
XLogP1.72
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-hydroxy-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 55031730
3-[(3,4-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64523704
3-[(3,4-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528227
3-[(5-bromo-2-chlorobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527085
3-[[4-(carbamoylamino)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528846
3-[(3-fluoro-4-methoxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527065
3-(pyridine-2-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64527840
3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526265
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
3-[(3-methyl-4-nitrobenzoyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528441
3-[(5-bromothiophene-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64528827

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid (CID 64528240) is 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is O=C(Nc1cc(C(=O)O)[nH]n1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is PJGCZZUUEJFWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4/c12-6-3-5(1-2-8(6)16)10(17)13-9-4-7(11(18)19)14-15-9/h1-4,16H,(H,18,19)(H2,13,14,15,17).
What are the key properties of 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid?
3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 281.66 g/mol, XLogP of 1.72, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-4-hydroxybenzoyl)amino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64528240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).