5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide

C16H13N3O2 — CID 24965129

IUPAC5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C16H13N3O2/c20-15-11-14(16(21)17-12-7-3-1-4-8-12)18-19(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,21)
InChIKeyVIINFUPRNUCDJA-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.42
Rot. Bonds3

About 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide

5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide (PubChem CID 24965129) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide
PubChem CID24965129
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)C1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C16H13N3O2/c20-15-11-14(16(21)17-12-7-3-1-4-8-12)18-19(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,21)
InChIKeyVIINFUPRNUCDJA-UHFFFAOYSA-N
XLogP2.42
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_A(7)', 'substructure': 'N/A'}

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Related Compounds

Mci-186
CID 4021
2,4-dihydro-5-methyl-2-phenyl-4-(phenylazo)-3H-pyrazol-3-one
CID 107537
3-amino-1-phenyl-4,5-dihydro-1H-pyrazol-5-one
CID 77794
1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
CID 668302
2,4-Dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-YL)methylene]-5-methyl-2-phenyl-3H-pyrazol-3-one
CID 1070531
4,4'-Bis(1-phenyl-3-methyl-5-pyrazolone)
CID 95807
4,5-dihydro-6-methyl-2-phenylpyridazin-3(2H)-one
CID 78330
3,4-Dimethyl-1-phenyl-1H-pyrazol-5(4H)-one
CID 86633
1-(4-fluorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 702012
(4E)-5,5'-Dimethyl-2,2'-diphenyl-4,4'-bipyrazole-3,3'(2H,2'H)-dione
CID 2825117
4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 1130374
3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
CID 136765

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide?
The IUPAC name of 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide (CID 24965129) is 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide?
The canonical SMILES for 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide is O=C(Nc1ccccc1)C1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide?
The InChIKey is VIINFUPRNUCDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-15-11-14(16(21)17-12-7-3-1-4-8-12)18-19(15)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,21).
What are the key properties of 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide?
5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide is sourced from PubChem (CID 24965129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).