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

C17H11ClFN3O3 — CID 69152829

IUPAC5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H11ClFN3O3/c18-13-4-2-1-3-12(13)16(23)20-15-9-14(17(24)25)21-22(15)11-7-5-10(19)6-8-11/h1-9H,(H,20,23)(H,24,25)
InChIKeyHVYOUPYGOWFELE-UHFFFAOYSA-N
MW359.74 g/mol
LogP3.62
Rot. Bonds4

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

5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid (PubChem CID 69152829) has the molecular formula C17H11ClFN3O3 and a molecular weight of 359.74 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
PubChem CID69152829
Molecular FormulaC17H11ClFN3O3
Molecular Weight359.74 g/mol
Exact Mass359.05
IUPAC Name5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H11ClFN3O3/c18-13-4-2-1-3-12(13)16(23)20-15-9-14(17(24)25)21-22(15)11-7-5-10(19)6-8-11/h1-9H,(H,20,23)(H,24,25)
InChIKeyHVYOUPYGOWFELE-UHFFFAOYSA-N
XLogP3.62
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-yl)amino)benzoic acid
CID 2727740
1-[(4-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 154636989
5-[(4-Methylbenzoyl)amino]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxylic acid
CID 154636998
1-Benzyl-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168271053
1-[(3,4-Difluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276085
1-[(2-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168276760
1-[(3-Chlorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168279045
5-[(4-Methylbenzoyl)amino]-1-[(3,4,5-trifluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 168279771
5-[(4-Ethylbenzoyl)amino]-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 168280360
1-[(2-Chlorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168285041
5-[(4-Acetylbenzoyl)amino]-1-[(4-fluorophenyl)methyl]pyrazole-3-carboxylic acid
CID 168293389
1-[(3-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168293652

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid (CID 69152829) is 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid is O=C(O)c1cc(NC(=O)c2ccccc2Cl)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
The InChIKey is HVYOUPYGOWFELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O3/c18-13-4-2-1-3-12(13)16(23)20-15-9-14(17(24)25)21-22(15)11-7-5-10(19)6-8-11/h1-9H,(H,20,23)(H,24,25).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid?
5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid has a molecular weight of 359.74 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 69152829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).