1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol

C16H28N2O — CID 65402789

IUPAC1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H28N2O/c1-16(2,3)14-7-5-13(6-8-14)15(19)9-12-10-17-18(4)11-12/h10-11,13-15,19H,5-9H2,1-4H3
InChIKeyLQDLNFWOTKKXEP-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.18
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol

1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 65402789) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID65402789
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H28N2O/c1-16(2,3)14-7-5-13(6-8-14)15(19)9-12-10-17-18(4)11-12/h10-11,13-15,19H,5-9H2,1-4H3
InChIKeyLQDLNFWOTKKXEP-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-(4-tert-butylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65403165
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780399
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105082718
1-(4-tert-butylcyclohexyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046399
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
1-(2-methyloxolan-3-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780326
3-methyl-1-(1-methylpyrazol-4-yl)pentane-2,3-diol
CID 103448660
4-tert-butyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62125698
[1-(3-ethylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105233556
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)butan-2-ol
CID 103312451

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol (CID 65402789) is 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol is Cn1cc(CC(O)C2CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is LQDLNFWOTKKXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)14-7-5-13(6-8-14)15(19)9-12-10-17-18(4)11-12/h10-11,13-15,19H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 264.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 65402789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).