5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

C16H13N5O4 — CID 25098137

IUPAC5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13N5O4/c1-10-14(16(23)20(19-10)13-8-4-5-9-17-13)15(22)18-11-6-2-3-7-12(11)21(24)25/h2-9,19H,1H3,(H,18,22)
InChIKeyQFCQSDCKTUVWBP-UHFFFAOYSA-N
MW339.31 g/mol
LogP2.03
Rot. Bonds4

About 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide

5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 25098137) has the molecular formula C16H13N5O4 and a molecular weight of 339.31 g/mol. Its IUPAC name is 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
PubChem CID25098137
Molecular FormulaC16H13N5O4
Molecular Weight339.31 g/mol
Exact Mass339.10
IUPAC Name5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H13N5O4/c1-10-14(16(23)20(19-10)13-8-4-5-9-17-13)15(22)18-11-6-2-3-7-12(11)21(24)25/h2-9,19H,1H3,(H,18,22)
InChIKeyQFCQSDCKTUVWBP-UHFFFAOYSA-N
XLogP2.03
TPSA122.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide (CID 25098137) is 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is Cc1[nH]n(-c2ccccn2)c(=O)c1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is QFCQSDCKTUVWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O4/c1-10-14(16(23)20(19-10)13-8-4-5-9-17-13)15(22)18-11-6-2-3-7-12(11)21(24)25/h2-9,19H,1H3,(H,18,22).
What are the key properties of 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide?
5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 339.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-nitrophenyl)-3-oxo-2-pyridin-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25098137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).