1-methyl-4-nitro-5-pyrazol-1-ylimidazole

C7H7N5O2 — CID 14495357

IUPAC1-methyl-4-nitro-5-pyrazol-1-ylimidazole
SMILESCn1cnc([N+](=O)[O-])c1-n1cccn1
InChIInChI=1S/C7H7N5O2/c1-10-5-8-6(12(13)14)7(10)11-4-2-3-9-11/h2-5H,1H3
InChIKeyRURLSWSURUCZBT-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.51
Rot. Bonds2

About 1-methyl-4-nitro-5-pyrazol-1-ylimidazole

1-methyl-4-nitro-5-pyrazol-1-ylimidazole (PubChem CID 14495357) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-methyl-4-nitro-5-pyrazol-1-ylimidazole.

Molecular Properties

Compound Name1-methyl-4-nitro-5-pyrazol-1-ylimidazole
PubChem CID14495357
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name1-methyl-4-nitro-5-pyrazol-1-ylimidazole
SMILESCn1cnc([N+](=O)[O-])c1-n1cccn1
InChIInChI=1S/C7H7N5O2/c1-10-5-8-6(12(13)14)7(10)11-4-2-3-9-11/h2-5H,1H3
InChIKeyRURLSWSURUCZBT-UHFFFAOYSA-N
XLogP0.51
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.51
H-Bond Donors ≤ 50
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'}

Analyze 1-methyl-4-nitro-5-pyrazol-1-ylimidazole 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-methyl-4-nitro-5-pyrazol-1-ylimidazole?
The IUPAC name of 1-methyl-4-nitro-5-pyrazol-1-ylimidazole (CID 14495357) is 1-methyl-4-nitro-5-pyrazol-1-ylimidazole.
What is the SMILES notation for 1-methyl-4-nitro-5-pyrazol-1-ylimidazole?
The canonical SMILES for 1-methyl-4-nitro-5-pyrazol-1-ylimidazole is Cn1cnc([N+](=O)[O-])c1-n1cccn1.
What is the InChIKey of 1-methyl-4-nitro-5-pyrazol-1-ylimidazole?
The InChIKey is RURLSWSURUCZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-10-5-8-6(12(13)14)7(10)11-4-2-3-9-11/h2-5H,1H3.
What are the key properties of 1-methyl-4-nitro-5-pyrazol-1-ylimidazole?
1-methyl-4-nitro-5-pyrazol-1-ylimidazole has a molecular weight of 193.17 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-5-pyrazol-1-ylimidazole is sourced from PubChem (CID 14495357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).