1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide

C25H19N5O — CID 139226268

IUPAC1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)[nH]1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N5O/c31-24(28-25-26-16-22(27-25)18-10-4-1-5-11-18)21-17-30(20-14-8-3-9-15-20)29-23(21)19-12-6-2-7-13-19/h1-17H,(H2,26,27,28,31)
InChIKeySBQIZGFSTCQXIX-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.18
Rot. Bonds5

About 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide

1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide (PubChem CID 139226268) has the molecular formula C25H19N5O and a molecular weight of 405.46 g/mol. Its IUPAC name is 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
PubChem CID139226268
Molecular FormulaC25H19N5O
Molecular Weight405.46 g/mol
Exact Mass405.16
IUPAC Name1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ncc(-c2ccccc2)[nH]1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H19N5O/c31-24(28-25-26-16-22(27-25)18-10-4-1-5-11-18)21-17-30(20-14-8-3-9-15-20)29-23(21)19-12-6-2-7-13-19/h1-17H,(H2,26,27,28,31)
InChIKeySBQIZGFSTCQXIX-UHFFFAOYSA-N
XLogP5.18
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
1,3-diphenyl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 19281225
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281399
N-(2,5-dimethylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281305
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N-(4-cyano-1-phenylpyrazol-5-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 19281419
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-(5-fluoro-2-methylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7777734

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide (CID 139226268) is 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1ncc(-c2ccccc2)[nH]1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is SBQIZGFSTCQXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O/c31-24(28-25-26-16-22(27-25)18-10-4-1-5-11-18)21-17-30(20-14-8-3-9-15-20)29-23(21)19-12-6-2-7-13-19/h1-17H,(H2,26,27,28,31).
What are the key properties of 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide?
1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-(5-phenyl-1H-imidazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 139226268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).