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

C18H13ClFN3O3 — CID 69152783

IUPAC5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccc(F)cc2)c1NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H13ClFN3O3/c1-10-15(18(25)26)22-23(12-8-6-11(20)7-9-12)16(10)21-17(24)13-4-2-3-5-14(13)19/h2-9H,1H3,(H,21,24)(H,25,26)
InChIKeyCVBRATPGXRGHSZ-UHFFFAOYSA-N
MW373.77 g/mol
LogP3.92
Rot. Bonds4

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

5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid (PubChem CID 69152783) has the molecular formula C18H13ClFN3O3 and a molecular weight of 373.77 g/mol. Its IUPAC name is 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
PubChem CID69152783
Molecular FormulaC18H13ClFN3O3
Molecular Weight373.77 g/mol
Exact Mass373.06
IUPAC Name5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(-c2ccc(F)cc2)c1NC(=O)c1ccccc1Cl
InChIInChI=1S/C18H13ClFN3O3/c1-10-15(18(25)26)22-23(12-8-6-11(20)7-9-12)16(10)21-17(24)13-4-2-3-5-14(13)19/h2-9H,1H3,(H,21,24)(H,25,26)
InChIKeyCVBRATPGXRGHSZ-UHFFFAOYSA-N
XLogP3.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 53.92
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
1-[(3-Fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168293652
1-[(4-Chlorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylic acid
CID 168295924

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid (CID 69152783) is 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(-c2ccc(F)cc2)c1NC(=O)c1ccccc1Cl.
What is the InChIKey of 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid?
The InChIKey is CVBRATPGXRGHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O3/c1-10-15(18(25)26)22-23(12-8-6-11(20)7-9-12)16(10)21-17(24)13-4-2-3-5-14(13)19/h2-9H,1H3,(H,21,24)(H,25,26).
What are the key properties of 5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid?
5-[(2-chlorobenzoyl)amino]-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylic acid has a molecular weight of 373.77 g/mol, XLogP of 3.92, 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)-4-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 69152783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).