5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole

C9H10N6O4 — CID 1421204

IUPAC5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole
SMILESCc1cc([N+](=O)[O-])nn1Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C9H10N6O4/c1-6-3-8(14(16)17)10-12(6)5-13-7(2)4-9(11-13)15(18)19/h3-4H,5H2,1-2H3
InChIKeyFOZMGJNQZOUBNH-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.02
Rot. Bonds4

About 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole

5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole (PubChem CID 1421204) has the molecular formula C9H10N6O4 and a molecular weight of 266.22 g/mol. Its IUPAC name is 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole.

Molecular Properties

Compound Name5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole
PubChem CID1421204
Molecular FormulaC9H10N6O4
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC Name5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole
SMILESCc1cc([N+](=O)[O-])nn1Cn1nc([N+](=O)[O-])cc1C
InChIInChI=1S/C9H10N6O4/c1-6-3-8(14(16)17)10-12(6)5-13-7(2)4-9(11-13)15(18)19/h3-4H,5H2,1-2H3
InChIKeyFOZMGJNQZOUBNH-UHFFFAOYSA-N
XLogP1.02
TPSA121.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole 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 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole?
The IUPAC name of 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole (CID 1421204) is 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole.
What is the SMILES notation for 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole?
The canonical SMILES for 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole is Cc1cc([N+](=O)[O-])nn1Cn1nc([N+](=O)[O-])cc1C.
What is the InChIKey of 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole?
The InChIKey is FOZMGJNQZOUBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O4/c1-6-3-8(14(16)17)10-12(6)5-13-7(2)4-9(11-13)15(18)19/h3-4H,5H2,1-2H3.
What are the key properties of 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole?
5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole has a molecular weight of 266.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(5-methyl-3-nitropyrazol-1-yl)methyl]-3-nitropyrazole is sourced from PubChem (CID 1421204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).