2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol

C15H24N2O — CID 64784469

IUPAC2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol
SMILESCCC(C)n1ccc(CC(O)C2CC=CCC2)n1
InChIInChI=1S/C15H24N2O/c1-3-12(2)17-10-9-14(16-17)11-15(18)13-7-5-4-6-8-13/h4-5,9-10,12-13,15,18H,3,6-8,11H2,1-2H3
InChIKeyHHIPHIWBWZYASK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.11
Rot. Bonds5

About 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol

2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol (PubChem CID 64784469) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol.

Molecular Properties

Compound Name2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol
PubChem CID64784469
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol
SMILESCCC(C)n1ccc(CC(O)C2CC=CCC2)n1
InChIInChI=1S/C15H24N2O/c1-3-12(2)17-10-9-14(16-17)11-15(18)13-7-5-4-6-8-13/h4-5,9-10,12-13,15,18H,3,6-8,11H2,1-2H3
InChIKeyHHIPHIWBWZYASK-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 115386246
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
[1-(1-butan-2-ylpyrazol-3-yl)-3-cyclopropylbutan-2-yl]hydrazine
CID 105312549
1-(1-butan-2-ylpyrazol-3-yl)pent-4-en-2-ol
CID 116659983
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448497
[2-(1-butan-2-ylpyrazol-3-yl)-1-cyclooctylethyl]hydrazine
CID 105255154
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
2-(1-butan-2-ylpyrazol-3-yl)-1-thiophen-3-ylethanol
CID 64785813
2-(1-propan-2-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanol
CID 105103437
1-[2-(1-butan-2-ylpyrazol-3-yl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452203
1-(1-butan-2-ylpyrazol-3-yl)-2-methylpentan-3-one
CID 64784588

Frequently Asked Questions

What is the IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol?
The IUPAC name of 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol (CID 64784469) is 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol.
What is the SMILES notation for 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol?
The canonical SMILES for 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol is CCC(C)n1ccc(CC(O)C2CC=CCC2)n1.
What is the InChIKey of 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol?
The InChIKey is HHIPHIWBWZYASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12(2)17-10-9-14(16-17)11-15(18)13-7-5-4-6-8-13/h4-5,9-10,12-13,15,18H,3,6-8,11H2,1-2H3.
What are the key properties of 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol?
2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol has a molecular weight of 248.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butan-2-ylpyrazol-3-yl)-1-cyclohex-3-en-1-ylethanol is sourced from PubChem (CID 64784469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).