3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C11H13N5O4 — CID 4772772

IUPAC3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)no1
InChIInChI=1S/C11H13N5O4/c1-7-5-10(14-20-7)13-11(17)3-4-15-8(2)9(6-12-15)16(18)19/h5-6H,3-4H2,1-2H3,(H,13,14,17)
InChIKeyOIXHPTTZAVDQNE-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.42
Rot. Bonds5

About 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 4772772) has the molecular formula C11H13N5O4 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID4772772
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Name3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)no1
InChIInChI=1S/C11H13N5O4/c1-7-5-10(14-20-7)13-11(17)3-4-15-8(2)9(6-12-15)16(18)19/h5-6H,3-4H2,1-2H3,(H,13,14,17)
InChIKeyOIXHPTTZAVDQNE-UHFFFAOYSA-N
XLogP1.42
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 4772772) is 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)no1.
What is the InChIKey of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is OIXHPTTZAVDQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-7-5-10(14-20-7)13-11(17)3-4-15-8(2)9(6-12-15)16(18)19/h5-6H,3-4H2,1-2H3,(H,13,14,17).
What are the key properties of 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 279.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-nitropyrazol-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 4772772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).