1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

C17H22N2O — CID 79979836

IUPAC1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cccc(C3CC3)c2)n(C)n1
InChIInChI=1S/C17H22N2O/c1-3-15-10-16(19(2)18-15)11-17(20)14-6-4-5-13(9-14)12-7-8-12/h4-6,9-10,12,17,20H,3,7-8,11H2,1-2H3
InChIKeyDWIXQCSMGZUUMC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds5

About 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol

1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (PubChem CID 79979836) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
PubChem CID79979836
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
SMILESCCc1cc(CC(O)c2cccc(C3CC3)c2)n(C)n1
InChIInChI=1S/C17H22N2O/c1-3-15-10-16(19(2)18-15)11-17(20)14-6-4-5-13(9-14)12-7-8-12/h4-6,9-10,12,17,20H,3,7-8,11H2,1-2H3
InChIKeyDWIXQCSMGZUUMC-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107046178
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CID 106695553
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115813510
1-(3-cyclopropylphenyl)-2-pyridin-4-ylethanol
CID 79980080
(3-cyclobutylphenyl)-(1,3-diethylpyrazol-5-yl)methanol
CID 105132344
1-(3-cyclobutylphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105189517
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol
CID 79972588
[(3-cyclobutylphenyl)-(3-ethyl-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105341952
1-(3-cyclopropylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 79973012
1-(3-aminophenyl)-2-(1,3-diethylpyrazol-5-yl)ethanol
CID 106695853
1-(3-cyclopropylphenyl)-2-(1,3-thiazol-5-yl)ethanol
CID 112642027
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol (CID 79979836) is 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is CCc1cc(CC(O)c2cccc(C3CC3)c2)n(C)n1.
What is the InChIKey of 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
The InChIKey is DWIXQCSMGZUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-15-10-16(19(2)18-15)11-17(20)14-6-4-5-13(9-14)12-7-8-12/h4-6,9-10,12,17,20H,3,7-8,11H2,1-2H3.
What are the key properties of 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol?
1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol has a molecular weight of 270.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylphenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 79979836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).