2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

C12H16N6O3 — CID 3336818

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n(C)n1
InChIInChI=1S/C12H16N6O3/c1-7-5-10(16(4)14-7)13-11(19)6-17-9(3)12(18(20)21)8(2)15-17/h5H,6H2,1-4H3,(H,13,19)
InChIKeyUBWZGYAMNPZFLN-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.09
Rot. Bonds4

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 3336818) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID3336818
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n(C)n1
InChIInChI=1S/C12H16N6O3/c1-7-5-10(16(4)14-7)13-11(19)6-17-9(3)12(18(20)21)8(2)15-17/h5H,6H2,1-4H3,(H,13,19)
InChIKeyUBWZGYAMNPZFLN-UHFFFAOYSA-N
XLogP1.09
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.09
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 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide 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 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 3336818) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)n(C)n1.
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is UBWZGYAMNPZFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-7-5-10(16(4)14-7)13-11(19)6-17-9(3)12(18(20)21)8(2)15-17/h5H,6H2,1-4H3,(H,13,19).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 292.30 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 3336818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).