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

C16H28N2O — CID 115780399

IUPAC1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCCCCC1CCC(C(O)Cc2cnn(C)c2)CC1
InChIInChI=1S/C16H28N2O/c1-3-4-5-13-6-8-15(9-7-13)16(19)10-14-11-17-18(2)12-14/h11-13,15-16,19H,3-10H2,1-2H3
InChIKeySWTLLJKQOSRBEN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.32
Rot. Bonds6

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

1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 115780399) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID115780399
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCCCCC1CCC(C(O)Cc2cnn(C)c2)CC1
InChIInChI=1S/C16H28N2O/c1-3-4-5-13-6-8-15(9-7-13)16(19)10-14-11-17-18(2)12-14/h11-13,15-16,19H,3-10H2,1-2H3
InChIKeySWTLLJKQOSRBEN-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65402789
1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-(4-butylcyclohexyl)-2-(3,4-dichlorophenyl)ethanol
CID 63519665
2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
CID 115833225
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
CID 105082718
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
1-(4-butylcyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanol
CID 115828251
1-(4-ethylcyclohexyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 65393940
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
CID 115780380
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol (CID 115780399) is 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol is CCCCC1CCC(C(O)Cc2cnn(C)c2)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is SWTLLJKQOSRBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-4-5-13-6-8-15(9-7-13)16(19)10-14-11-17-18(2)12-14/h11-13,15-16,19H,3-10H2,1-2H3.
What are the key properties of 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 264.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 115780399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).