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

C15H17ClN4 — CID 79297311

IUPAC5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1cccc(-n2c(CCl)nc3c(C)nn(C)c32)c1C
InChIInChI=1S/C15H17ClN4/c1-9-6-5-7-12(10(9)2)20-13(8-16)17-14-11(3)18-19(4)15(14)20/h5-7H,8H2,1-4H3
InChIKeyKAKMYMDMNJSWLO-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.42
Rot. Bonds2

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

5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 79297311) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID79297311
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1cccc(-n2c(CCl)nc3c(C)nn(C)c32)c1C
InChIInChI=1S/C15H17ClN4/c1-9-6-5-7-12(10(9)2)20-13(8-16)17-14-11(3)18-19(4)15(14)20/h5-7H,8H2,1-4H3
InChIKeyKAKMYMDMNJSWLO-UHFFFAOYSA-N
XLogP3.42
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-6-(2,3-dimethylphenyl)-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

Related Compounds

2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-6-methylbenzonitrile
CID 107799719
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-N,N-dimethylaniline
CID 106760346
5-(2-chloroethyl)-6-(3-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79277389
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-6-fluorobenzonitrile
CID 79277087
5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297169
5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297324
6-(5-bromo-2-fluorophenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297526
5-(chloromethyl)-1,3-dimethyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazole
CID 79276393
5-(chloromethyl)-6-(3,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297663
5-(chloromethyl)-1,3-dimethyl-6-(4-propylphenyl)imidazo[4,5-d]pyrazole
CID 79276536
2-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]-5-fluorobenzonitrile
CID 82683636
6-(4-chloro-3-methoxyphenyl)-5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 107622373

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole (CID 79297311) is 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole is Cc1cccc(-n2c(CCl)nc3c(C)nn(C)c32)c1C.
What is the InChIKey of 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is KAKMYMDMNJSWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-9-6-5-7-12(10(9)2)20-13(8-16)17-14-11(3)18-19(4)15(14)20/h5-7H,8H2,1-4H3.
What are the key properties of 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 288.78 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(2,3-dimethylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79297311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).