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

C14H14ClFN4 — CID 79297169

IUPAC5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1cc(F)ccc1-n1c(CCl)nc2c(C)nn(C)c21
InChIInChI=1S/C14H14ClFN4/c1-8-6-10(16)4-5-11(8)20-12(7-15)17-13-9(2)18-19(3)14(13)20/h4-6H,7H2,1-3H3
InChIKeyDEYNQOJSKIAMNL-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.25
Rot. Bonds2

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

5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole (PubChem CID 79297169) has the molecular formula C14H14ClFN4 and a molecular weight of 292.75 g/mol. Its IUPAC name is 5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
PubChem CID79297169
Molecular FormulaC14H14ClFN4
Molecular Weight292.75 g/mol
Exact Mass292.09
IUPAC Name5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
SMILESCc1cc(F)ccc1-n1c(CCl)nc2c(C)nn(C)c21
InChIInChI=1S/C14H14ClFN4/c1-8-6-10(16)4-5-11(8)20-12(7-15)17-13-9(2)18-19(3)14(13)20/h4-6H,7H2,1-3H3
InChIKeyDEYNQOJSKIAMNL-UHFFFAOYSA-N
XLogP3.25
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole (CID 79297169) is 5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole is Cc1cc(F)ccc1-n1c(CCl)nc2c(C)nn(C)c21.
What is the InChIKey of 5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
The InChIKey is DEYNQOJSKIAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4/c1-8-6-10(16)4-5-11(8)20-12(7-15)17-13-9(2)18-19(3)14(13)20/h4-6H,7H2,1-3H3.
What are the key properties of 5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole has a molecular weight of 292.75 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-6-(4-fluoro-2-methylphenyl)-1,3-dimethylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79297169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).