N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

C24H19FN4O2 — CID 78890736

IUPACN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H19FN4O2/c25-22-9-5-4-6-18(22)14-26-23(30)17-10-12-20(13-11-17)28-24(31)19-15-27-29(16-19)21-7-2-1-3-8-21/h1-13,15-16H,14H2,(H,26,30)(H,28,31)
InChIKeyGOSUVPSNOLZZQP-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.19
Rot. Bonds6

About N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide

N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 78890736) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
PubChem CID78890736
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC NameN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H19FN4O2/c25-22-9-5-4-6-18(22)14-26-23(30)17-10-12-20(13-11-17)28-24(31)19-15-27-29(16-19)21-7-2-1-3-8-21/h1-13,15-16H,14H2,(H,26,30)(H,28,31)
InChIKeyGOSUVPSNOLZZQP-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

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
diethyl-[[2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl]azanium
CID 9074333
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025581
1-(3-chlorophenyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 112845235
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46327515
N'-(2-fluorobenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 26246673
N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide (CID 78890736) is N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is O=C(NCc1ccccc1F)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is GOSUVPSNOLZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c25-22-9-5-4-6-18(22)14-26-23(30)17-10-12-20(13-11-17)28-24(31)19-15-27-29(16-19)21-7-2-1-3-8-21/h1-13,15-16H,14H2,(H,26,30)(H,28,31).
What are the key properties of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide?
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-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-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 78890736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).