1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid

C19H16FN3O3 — CID 59608739

IUPAC1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid
SMILESCc1ccc(-n2ncc(NC(=O)c3ccc(F)cc3)c2C(=O)O)cc1C
InChIInChI=1S/C19H16FN3O3/c1-11-3-8-15(9-12(11)2)23-17(19(25)26)16(10-21-23)22-18(24)13-4-6-14(20)7-5-13/h3-10H,1-2H3,(H,22,24)(H,25,26)
InChIKeyNGRXCJDMPJJMNX-UHFFFAOYSA-N
MW353.35 g/mol
LogP3.58
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid

1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid (PubChem CID 59608739) has the molecular formula C19H16FN3O3 and a molecular weight of 353.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid
PubChem CID59608739
Molecular FormulaC19H16FN3O3
Molecular Weight353.35 g/mol
Exact Mass353.12
IUPAC Name1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid
SMILESCc1ccc(-n2ncc(NC(=O)c3ccc(F)cc3)c2C(=O)O)cc1C
InChIInChI=1S/C19H16FN3O3/c1-11-3-8-15(9-12(11)2)23-17(19(25)26)16(10-21-23)22-18(24)13-4-6-14(20)7-5-13/h3-10H,1-2H3,(H,22,24)(H,25,26)
InChIKeyNGRXCJDMPJJMNX-UHFFFAOYSA-N
XLogP3.58
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid
CID 59608735
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
4-[(4-bromobenzoyl)amino]-1-(4-cyanophenyl)pyrazole-5-carboxylic acid
CID 71286319
4-[(4-fluorobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 4867279
4-[(4-bromobenzoyl)amino]-1-(3-cyanophenyl)pyrazole-5-carboxylic acid
CID 71286314
5-methyl-1-[4-[[2-methyl-5-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid
CID 167787588
[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
CID 67113503
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
N-[2,6-dimethyl-4-(1,2,4-triazol-4-yl)phenyl]-4-fluorobenzamide
CID 50881395
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(5-carbamoyl-2-fluorophenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 136577209

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid?
The IUPAC name of 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid (CID 59608739) is 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid?
The canonical SMILES for 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid is Cc1ccc(-n2ncc(NC(=O)c3ccc(F)cc3)c2C(=O)O)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid?
The InChIKey is NGRXCJDMPJJMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3/c1-11-3-8-15(9-12(11)2)23-17(19(25)26)16(10-21-23)22-18(24)13-4-6-14(20)7-5-13/h3-10H,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid?
1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid has a molecular weight of 353.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-4-[(4-fluorobenzoyl)amino]pyrazole-5-carboxylic acid is sourced from PubChem (CID 59608739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).