5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

C16H14N4O2 — CID 25098135

IUPAC5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1
InChIInChI=1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21)
InChIKeyQJEBTCLOCMTSJU-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.12
Rot. Bonds3

About 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 25098135) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID25098135
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1
InChIInChI=1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21)
InChIKeyQJEBTCLOCMTSJU-UHFFFAOYSA-N
XLogP2.12
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 25098135) is 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1.
What is the InChIKey of 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is QJEBTCLOCMTSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21).
What are the key properties of 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25098135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).