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

C15H23ClN4O — CID 79275981

IUPAC5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2CCOC1CCCCC1
InChIInChI=1S/C15H23ClN4O/c1-11-14-15(19(2)18-11)20(13(10-16)17-14)8-9-21-12-6-4-3-5-7-12/h12H,3-10H2,1-2H3
InChIKeyRQYJUCCRGIVMCF-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.17
Rot. Bonds5

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

5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 79275981) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID79275981
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1nn(C)c2c1nc(CCl)n2CCOC1CCCCC1
InChIInChI=1S/C15H23ClN4O/c1-11-14-15(19(2)18-11)20(13(10-16)17-14)8-9-21-12-6-4-3-5-7-12/h12H,3-10H2,1-2H3
InChIKeyRQYJUCCRGIVMCF-UHFFFAOYSA-N
XLogP3.17
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole (CID 79275981) is 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole is Cc1nn(C)c2c1nc(CCl)n2CCOC1CCCCC1.
What is the InChIKey of 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is RQYJUCCRGIVMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-11-14-15(19(2)18-11)20(13(10-16)17-14)8-9-21-12-6-4-3-5-7-12/h12H,3-10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 310.83 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(2-cyclohexyloxyethyl)-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79275981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).