1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C17H22N2O — CID 79980806

IUPAC1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C17H22N2O/c1-12(2)19-10-9-16(18-19)11-17(20)15-7-5-14(6-8-15)13-3-4-13/h5-10,12-13,17,20H,3-4,11H2,1-2H3
InChIKeyDRLKAJNTBWJJDP-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.62
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 79980806) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID79980806
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2ccc(C3CC3)cc2)n1
InChIInChI=1S/C17H22N2O/c1-12(2)19-10-9-16(18-19)11-17(20)15-7-5-14(6-8-15)13-3-4-13/h5-10,12-13,17,20H,3-4,11H2,1-2H3
InChIKeyDRLKAJNTBWJJDP-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
1-(4-cyclopropylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046180
1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103317
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
1-(4-cyclopropylphenyl)-2-pyridin-2-ylethanol
CID 79980417
1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772954
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 66424827
1-(4-cyclopropylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79980251
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
1-(3-methyl-2-pyridinyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64771004
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 79980806) is 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)c2ccc(C3CC3)cc2)n1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is DRLKAJNTBWJJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)19-10-9-16(18-19)11-17(20)15-7-5-14(6-8-15)13-3-4-13/h5-10,12-13,17,20H,3-4,11H2,1-2H3.
What are the key properties of 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 270.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 79980806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).