N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

C24H19FN4O2 — CID 5184412

IUPACN-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)NCc2ccccc2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C24H19FN4O2/c25-21-14-8-7-13-19(21)24(31)28-22-20(16-27-29(22)18-11-5-2-6-12-18)23(30)26-15-17-9-3-1-4-10-17/h1-14,16H,15H2,(H,26,30)(H,28,31)
InChIKeyMUVVIUNOXSEHKY-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.19
Rot. Bonds6

About N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide

N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (PubChem CID 5184412) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
PubChem CID5184412
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC NameN-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c(C(=O)NCc2ccccc2)cnn1-c1ccccc1)c1ccccc1F
InChIInChI=1S/C24H19FN4O2/c25-21-14-8-7-13-19(21)24(31)28-22-20(16-27-29(22)18-11-5-2-6-12-18)23(30)26-15-17-9-3-1-4-10-17/h1-14,16H,15H2,(H,26,30)(H,28,31)
InChIKeyMUVVIUNOXSEHKY-UHFFFAOYSA-N
XLogP4.19
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067674
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
N-benzyl-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31687955
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
5-[(4-methylbenzoyl)amino]-1-phenyl-N-propylpyrazole-4-carboxamide
CID 2298695
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
5-benzamido-1-phenylpyrazole-4-carboxylic acid
CID 16638016
3-fluoro-N-(4-methyl-1-phenylpyrazol-5-yl)pyridine-4-carboxamide
CID 71859005
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide (CID 5184412) is N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is O=C(Nc1c(C(=O)NCc2ccccc2)cnn1-c1ccccc1)c1ccccc1F.
What is the InChIKey of N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
The InChIKey is MUVVIUNOXSEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-21-14-8-7-13-19(21)24(31)28-22-20(16-27-29(22)18-11-5-2-6-12-18)23(30)26-15-17-9-3-1-4-10-17/h1-14,16H,15H2,(H,26,30)(H,28,31).
What are the key properties of N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide?
N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 5184412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).