6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol

C14H22N2O — CID 123183517

IUPAC6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol
SMILESCCc1cc(C2C3CC(O)CC32)n(C(C)C)n1
InChIInChI=1S/C14H22N2O/c1-4-9-5-13(16(15-9)8(2)3)14-11-6-10(17)7-12(11)14/h5,8,10-12,14,17H,4,6-7H2,1-3H3
InChIKeyLYUOJPFFVKZPHL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.51
Rot. Bonds3

About 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol

6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol (PubChem CID 123183517) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol.

Molecular Properties

Compound Name6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol
PubChem CID123183517
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol
SMILESCCc1cc(C2C3CC(O)CC32)n(C(C)C)n1
InChIInChI=1S/C14H22N2O/c1-4-9-5-13(16(15-9)8(2)3)14-11-6-10(17)7-12(11)14/h5,8,10-12,14,17H,4,6-7H2,1-3H3
InChIKeyLYUOJPFFVKZPHL-UHFFFAOYSA-N
XLogP2.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
[(1R,5S)-3-fluoro-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]methanol
CID 118161812
3-Ethyl-5-[3-fluoro-3-(methoxymethyl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazole
CID 123703137
[6-(3-Ethyl-1-propan-2-ylpyrazol-5-yl)-3-fluoro-3-bicyclo[3.1.0]hexanyl]methanol
CID 123815409
[3-Fluoro-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-bicyclo[3.1.0]hexanyl]methanol
CID 140678130
4-[[3-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041996
Ethane;4-[[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041997
4-[[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 166833817
5-[3-(1-Fluorocyclopropyl)-1-methylpyrazol-5-yl]pentan-1-ol
CID 166977497
6-[1-Propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
CID 168906812
6-[1-(2,2-Difluoroethyl)-3-(trifluoromethyl)pyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
CID 168906838
4-[5-[(1R,5S)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-1-(trifluoromethyl)cyclohexan-1-ol
CID 169847719

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol?
The IUPAC name of 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol (CID 123183517) is 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol.
What is the SMILES notation for 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol?
The canonical SMILES for 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol is CCc1cc(C2C3CC(O)CC32)n(C(C)C)n1.
What is the InChIKey of 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol?
The InChIKey is LYUOJPFFVKZPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-9-5-13(16(15-9)8(2)3)14-11-6-10(17)7-12(11)14/h5,8,10-12,14,17H,4,6-7H2,1-3H3.
What are the key properties of 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol?
6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol has a molecular weight of 234.34 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol is sourced from PubChem (CID 123183517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).