5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole

C15H25ClN4 — CID 79297185

IUPAC5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H25ClN4/c1-10-12-13(19(7)18-10)20(11(8-16)17-12)15(5,6)9-14(2,3)4/h8-9H2,1-7H3
InChIKeyCSNVIAAOZSCATR-UHFFFAOYSA-N
MW296.85 g/mol
LogP3.99
Rot. Bonds3

About 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole

5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole (PubChem CID 79297185) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole
PubChem CID79297185
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2C(C)(C)CC(C)(C)C
InChIInChI=1S/C15H25ClN4/c1-10-12-13(19(7)18-10)20(11(8-16)17-12)15(5,6)9-14(2,3)4/h8-9H2,1-7H3
InChIKeyCSNVIAAOZSCATR-UHFFFAOYSA-N
XLogP3.99
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole 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-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole (CID 79297185) is 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole is Cc1nn(C)c2c1nc(CCl)n2C(C)(C)CC(C)(C)C.
What is the InChIKey of 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole?
The InChIKey is CSNVIAAOZSCATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-10-12-13(19(7)18-10)20(11(8-16)17-12)15(5,6)9-14(2,3)4/h8-9H2,1-7H3.
What are the key properties of 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole?
5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole has a molecular weight of 296.85 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-dimethyl-6-(2,4,4-trimethylpentan-2-yl)imidazo[4,5-d]pyrazole is sourced from PubChem (CID 79297185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).