1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide

C23H17F2N3O — CID 9209390

IUPAC1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H17F2N3O/c24-18-11-12-21(20(25)13-18)26-23(29)19-15-28(14-16-7-3-1-4-8-16)27-22(19)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,26,29)
InChIKeyLPNZEIWUHVNMIN-UHFFFAOYSA-N
MW389.41 g/mol
LogP5.13
Rot. Bonds5

About 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide

1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 9209390) has the molecular formula C23H17F2N3O and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
PubChem CID9209390
Molecular FormulaC23H17F2N3O
Molecular Weight389.41 g/mol
Exact Mass389.13
IUPAC Name1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H17F2N3O/c24-18-11-12-21(20(25)13-18)26-23(29)19-15-28(14-16-7-3-1-4-8-16)27-22(19)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,26,29)
InChIKeyLPNZEIWUHVNMIN-UHFFFAOYSA-N
XLogP5.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-N-(2,4-difluorophenyl)triazole-4-carboxamide
CID 18152169
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
CID 99181106
methyl 3-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-4-methylbenzoate
CID 18288690
1-benzyl-3-(4-chlorophenyl)-N-[2-methyl-5-(propanoylamino)phenyl]pyrazole-4-carboxamide
CID 55780324
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
1-benzyl-N-(4-chloro-2-fluorophenyl)triazole-4-carboxamide
CID 18152200
1-benzyl-N-(2-fluorophenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925655

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide (CID 9209390) is 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is LPNZEIWUHVNMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O/c24-18-11-12-21(20(25)13-18)26-23(29)19-15-28(14-16-7-3-1-4-8-16)27-22(19)17-9-5-2-6-10-17/h1-13,15H,14H2,(H,26,29).
What are the key properties of 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide?
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 9209390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).