4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide

C16H13N3O2 — CID 3568986

IUPAC4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide
SMILESO=C1CN(c2ccccc2)N=C1C(=O)Nc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-14-11-19(13-9-5-2-6-10-13)18-15(14)16(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,21)
InChIKeyFFVYURLAHSLZTC-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.07
Rot. Bonds3

About 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide

4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide (PubChem CID 3568986) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide
PubChem CID3568986
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide
SMILESO=C1CN(c2ccccc2)N=C1C(=O)Nc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-14-11-19(13-9-5-2-6-10-13)18-15(14)16(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,21)
InChIKeyFFVYURLAHSLZTC-UHFFFAOYSA-N
XLogP2.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide?
The IUPAC name of 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide (CID 3568986) is 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide?
The canonical SMILES for 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide is O=C1CN(c2ccccc2)N=C1C(=O)Nc1ccccc1.
What is the InChIKey of 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide?
The InChIKey is FFVYURLAHSLZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-14-11-19(13-9-5-2-6-10-13)18-15(14)16(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H,17,21).
What are the key properties of 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide?
4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N,2-diphenyl-3H-pyrazole-5-carboxamide is sourced from PubChem (CID 3568986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).