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

C16H27ClN2 — CID 82700217

IUPAC4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole
SMILESCCc1nn(C2CCC(CC)CC2)c(CC)c1CCl
InChIInChI=1S/C16H27ClN2/c1-4-12-7-9-13(10-8-12)19-16(6-3)14(11-17)15(5-2)18-19/h12-13H,4-11H2,1-3H3
InChIKeyXWRHKQLZLKMVPJ-UHFFFAOYSA-N
MW282.86 g/mol
LogP4.89
Rot. Bonds5

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

4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole (PubChem CID 82700217) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole
PubChem CID82700217
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole
SMILESCCc1nn(C2CCC(CC)CC2)c(CC)c1CCl
InChIInChI=1S/C16H27ClN2/c1-4-12-7-9-13(10-8-12)19-16(6-3)14(11-17)15(5-2)18-19/h12-13H,4-11H2,1-3H3
InChIKeyXWRHKQLZLKMVPJ-UHFFFAOYSA-N
XLogP4.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole
CID 82699339
4-(chloromethyl)-3,5-diethyl-1-(oxan-4-yl)pyrazole
CID 82700063
3,5-diethyl-1-(4-ethylcyclohexyl)pyrazol-4-amine
CID 82702126
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde
CID 82697974
1-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)propan-1-ol
CID 82700773
1-butyl-4-(chloromethyl)-3,5-diethylpyrazole
CID 82700348
5-(chloromethyl)-1-(4-ethylcyclohexyl)imidazole
CID 66150209
4-(chloromethyl)-3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazole
CID 82699922
4-(chloromethyl)-3,5-diethyl-1-pentan-3-ylpyrazole
CID 82700486
1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine
CID 82700374
1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430847

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole?
The IUPAC name of 4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole (CID 82700217) is 4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole.
What is the SMILES notation for 4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole?
The canonical SMILES for 4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole is CCc1nn(C2CCC(CC)CC2)c(CC)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole?
The InChIKey is XWRHKQLZLKMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-4-12-7-9-13(10-8-12)19-16(6-3)14(11-17)15(5-2)18-19/h12-13H,4-11H2,1-3H3.
What are the key properties of 4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole?
4-(chloromethyl)-3,5-diethyl-1-(4-ethylcyclohexyl)pyrazole has a molecular weight of 282.86 g/mol, XLogP of 4.89, 5 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-ethylcyclohexyl)pyrazole is sourced from PubChem (CID 82700217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).