1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol

C15H26N2O — CID 64775093

IUPAC1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCCC1CCC(n2nc(C)c(C(C)O)c2C)CC1
InChIInChI=1S/C15H26N2O/c1-5-13-6-8-14(9-7-13)17-11(3)15(12(4)18)10(2)16-17/h12-14,18H,5-9H2,1-4H3
InChIKeyZVKSASSSUMUJHJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.69
Rot. Bonds3

About 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol

1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 64775093) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID64775093
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCCC1CCC(n2nc(C)c(C(C)O)c2C)CC1
InChIInChI=1S/C15H26N2O/c1-5-13-6-8-14(9-7-13)17-11(3)15(12(4)18)10(2)16-17/h12-14,18H,5-9H2,1-4H3
InChIKeyZVKSASSSUMUJHJ-UHFFFAOYSA-N
XLogP3.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol (CID 64775093) is 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol is CCC1CCC(n2nc(C)c(C(C)O)c2C)CC1.
What is the InChIKey of 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is ZVKSASSSUMUJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13-6-8-14(9-7-13)17-11(3)15(12(4)18)10(2)16-17/h12-14,18H,5-9H2,1-4H3.
What are the key properties of 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol?
1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 250.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylcyclohexyl)-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 64775093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).