N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C25H21FN4O2 — CID 1067712

IUPACN-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1C
InChIInChI=1S/C25H21FN4O2/c1-16-12-13-18(14-17(16)2)28-25(32)21-15-27-30(19-8-4-3-5-9-19)23(21)29-24(31)20-10-6-7-11-22(20)26/h3-15H,1-2H3,(H,28,32)(H,29,31)
InChIKeyYFHHDZMAQRGAOV-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.13
Rot. Bonds5

About N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 1067712) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID1067712
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC NameN-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1C
InChIInChI=1S/C25H21FN4O2/c1-16-12-13-18(14-17(16)2)28-25(32)21-15-27-30(19-8-4-3-5-9-19)23(21)29-24(31)20-10-6-7-11-22(20)26/h3-15H,1-2H3,(H,28,32)(H,29,31)
InChIKeyYFHHDZMAQRGAOV-UHFFFAOYSA-N
XLogP5.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067674
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 5184412
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71859005
2-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 5163915
5-chloro-N-(3-chloro-4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 73254444
N-[(3,4-dimethylphenyl)carbamothioyl]-2-fluorobenzamide
CID 881377
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 1067712) is N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is YFHHDZMAQRGAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-16-12-13-18(14-17(16)2)28-25(32)21-15-27-30(19-8-4-3-5-9-19)23(21)29-24(31)20-10-6-7-11-22(20)26/h3-15H,1-2H3,(H,28,32)(H,29,31).
What are the key properties of N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1067712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).