4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole

C15H25ClN2 — CID 82699339

IUPAC4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole
SMILESCCc1nn(C2CCC(C)CC2)c(CC)c1CCl
InChIInChI=1S/C15H25ClN2/c1-4-14-13(10-16)15(5-2)18(17-14)12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyWWNQEFKKFZBRQI-UHFFFAOYSA-N
MW268.83 g/mol
LogP4.50
Rot. Bonds4

About 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole

4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole (PubChem CID 82699339) has the molecular formula C15H25ClN2 and a molecular weight of 268.83 g/mol. Its IUPAC name is 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole
PubChem CID82699339
Molecular FormulaC15H25ClN2
Molecular Weight268.83 g/mol
Exact Mass268.17
IUPAC Name4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole
SMILESCCc1nn(C2CCC(C)CC2)c(CC)c1CCl
InChIInChI=1S/C15H25ClN2/c1-4-14-13(10-16)15(5-2)18(17-14)12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3
InChIKeyWWNQEFKKFZBRQI-UHFFFAOYSA-N
XLogP4.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.83
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole?
The IUPAC name of 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole (CID 82699339) is 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole.
What is the SMILES notation for 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole?
The canonical SMILES for 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole is CCc1nn(C2CCC(C)CC2)c(CC)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole?
The InChIKey is WWNQEFKKFZBRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2/c1-4-14-13(10-16)15(5-2)18(17-14)12-8-6-11(3)7-9-12/h11-12H,4-10H2,1-3H3.
What are the key properties of 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole?
4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole has a molecular weight of 268.83 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole is sourced from PubChem (CID 82699339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).