3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide

C13H15N5O3 — CID 843498

IUPAC3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)nc1
InChIInChI=1S/C13H15N5O3/c1-9-3-4-11(14-8-9)15-13(19)5-6-17-10(2)7-12(16-17)18(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,19)
InChIKeyPNYNYFDIGKZNEO-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.83
Rot. Bonds5

About 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide

3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 843498) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID843498
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)nc1
InChIInChI=1S/C13H15N5O3/c1-9-3-4-11(14-8-9)15-13(19)5-6-17-10(2)7-12(16-17)18(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,19)
InChIKeyPNYNYFDIGKZNEO-UHFFFAOYSA-N
XLogP1.83
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.83
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 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide (CID 843498) is 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)nc1.
What is the InChIKey of 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is PNYNYFDIGKZNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9-3-4-11(14-8-9)15-13(19)5-6-17-10(2)7-12(16-17)18(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,19).
What are the key properties of 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide?
3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 289.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 843498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).