2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide

C15H13N5O3 — CID 752934

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H13N5O3/c1-10-6-14(20(22)23)18-19(10)9-15(21)17-12-7-11-4-2-3-5-13(11)16-8-12/h2-8H,9H2,1H3,(H,17,21)
InChIKeyZWVCDQBUJRPLSH-UHFFFAOYSA-N
MW311.30 g/mol
LogP2.29
Rot. Bonds4

About 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide

2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide (PubChem CID 752934) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide
PubChem CID752934
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C15H13N5O3/c1-10-6-14(20(22)23)18-19(10)9-15(21)17-12-7-11-4-2-3-5-13(11)16-8-12/h2-8H,9H2,1H3,(H,17,21)
InChIKeyZWVCDQBUJRPLSH-UHFFFAOYSA-N
XLogP2.29
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide (CID 752934) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide?
The InChIKey is ZWVCDQBUJRPLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-10-6-14(20(22)23)18-19(10)9-15(21)17-12-7-11-4-2-3-5-13(11)16-8-12/h2-8H,9H2,1H3,(H,17,21).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide has a molecular weight of 311.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-3-ylacetamide is sourced from PubChem (CID 752934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).