5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole

C15H25ClN4 — CID 79305233

IUPAC5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole
SMILESCCCc1nn(C)c2c1nc(CCl)n2C(C)CC(C)C
InChIInChI=1S/C15H25ClN4/c1-6-7-12-14-15(19(5)18-12)20(13(9-16)17-14)11(4)8-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyFLHADWACSZALKQ-UHFFFAOYSA-N
MW296.85 g/mol
LogP4.07
Rot. Bonds6

About 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole

5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole (PubChem CID 79305233) has the molecular formula C15H25ClN4 and a molecular weight of 296.85 g/mol. Its IUPAC name is 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole
PubChem CID79305233
Molecular FormulaC15H25ClN4
Molecular Weight296.85 g/mol
Exact Mass296.18
IUPAC Name5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole
SMILESCCCc1nn(C)c2c1nc(CCl)n2C(C)CC(C)C
InChIInChI=1S/C15H25ClN4/c1-6-7-12-14-15(19(5)18-12)20(13(9-16)17-14)11(4)8-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyFLHADWACSZALKQ-UHFFFAOYSA-N
XLogP4.07
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 54.07
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)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole?
The IUPAC name of 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole (CID 79305233) is 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole is CCCc1nn(C)c2c1nc(CCl)n2C(C)CC(C)C.
What is the InChIKey of 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole?
The InChIKey is FLHADWACSZALKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4/c1-6-7-12-14-15(19(5)18-12)20(13(9-16)17-14)11(4)8-10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole?
5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole has a molecular weight of 296.85 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-methyl-6-(4-methylpentan-2-yl)-3-propylimidazo[4,5-d]pyrazole is sourced from PubChem (CID 79305233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).