5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole

C12H19ClN4O — CID 79288912

IUPAC5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCOCCC(C)n1c(CCl)nc2c(C)nn(C)c21
InChIInChI=1S/C12H19ClN4O/c1-8(5-6-18-4)17-10(7-13)14-11-9(2)15-16(3)12(11)17/h8H,5-7H2,1-4H3
InChIKeyVFMFWVCLBPILJG-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.41
Rot. Bonds5

About 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole

5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 79288912) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID79288912
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCOCCC(C)n1c(CCl)nc2c(C)nn(C)c21
InChIInChI=1S/C12H19ClN4O/c1-8(5-6-18-4)17-10(7-13)14-11-9(2)15-16(3)12(11)17/h8H,5-7H2,1-4H3
InChIKeyVFMFWVCLBPILJG-UHFFFAOYSA-N
XLogP2.41
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[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)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole (CID 79288912) is 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole is COCCC(C)n1c(CCl)nc2c(C)nn(C)c21.
What is the InChIKey of 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is VFMFWVCLBPILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8(5-6-18-4)17-10(7-13)14-11-9(2)15-16(3)12(11)17/h8H,5-7H2,1-4H3.
What are the key properties of 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 270.76 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(4-methoxybutan-2-yl)-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79288912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).