N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

C23H18FN3O — CID 1356321

IUPACN-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H18FN3O/c24-19-13-11-18(12-14-19)22-21(16-27(26-22)20-9-5-2-6-10-20)23(28)25-15-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,25,28)
InChIKeyHWOAGCCCIMKBFQ-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.61
Rot. Bonds5

About N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide

N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1356321) has the molecular formula C23H18FN3O and a molecular weight of 371.42 g/mol. Its IUPAC name is N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1356321
Molecular FormulaC23H18FN3O
Molecular Weight371.42 g/mol
Exact Mass371.14
IUPAC NameN-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
InChIInChI=1S/C23H18FN3O/c24-19-13-11-18(12-14-19)22-21(16-27(26-22)20-9-5-2-6-10-20)23(28)25-15-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,25,28)
InChIKeyHWOAGCCCIMKBFQ-UHFFFAOYSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
3-(4-fluorophenyl)-N',N'-dimethyl-1-phenylpyrazole-4-carbohydrazide
CID 9163796
N-[2-(benzylamino)-2-oxoethyl]-1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxamide
CID 55676157
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
1-(4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-3-phenylpyrazole-4-carboxamide
CID 33116947
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
3-(2-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 8781230
N-[2-(benzylamino)-2-oxoethyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55676140
N-benzyl-1-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 26456307

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide (CID 1356321) is N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1.
What is the InChIKey of N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is HWOAGCCCIMKBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O/c24-19-13-11-18(12-14-19)22-21(16-27(26-22)20-9-5-2-6-10-20)23(28)25-15-17-7-3-1-4-8-17/h1-14,16H,15H2,(H,25,28).
What are the key properties of N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide?
N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1356321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).