1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide

C10H11N5O4 — CID 831972

IUPAC1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)no1
InChIInChI=1S/C10H11N5O4/c1-5-4-7(13-19-5)11-10(16)9-8(15(17)18)6(2)12-14(9)3/h4H,1-3H3,(H,11,13,16)
InChIKeyYSUCXIVQVVZRGC-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.19
Rot. Bonds3

About 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide

1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide (PubChem CID 831972) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide
PubChem CID831972
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide
SMILESCc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)no1
InChIInChI=1S/C10H11N5O4/c1-5-4-7(13-19-5)11-10(16)9-8(15(17)18)6(2)12-14(9)3/h4H,1-3H3,(H,11,13,16)
InChIKeyYSUCXIVQVVZRGC-UHFFFAOYSA-N
XLogP1.19
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.19
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 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide 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 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide (CID 831972) is 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide is Cc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)no1.
What is the InChIKey of 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide?
The InChIKey is YSUCXIVQVVZRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-5-4-7(13-19-5)11-10(16)9-8(15(17)18)6(2)12-14(9)3/h4H,1-3H3,(H,11,13,16).
What are the key properties of 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide?
1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 831972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).