1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

C14H17ClN2O — CID 64772954

IUPAC1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN2O/c1-10(2)17-7-6-13(16-17)9-14(18)11-4-3-5-12(15)8-11/h3-8,10,14,18H,9H2,1-2H3
InChIKeyVMLAXIMNPUYROZ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.39
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol

1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (PubChem CID 64772954) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
PubChem CID64772954
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
SMILESCC(C)n1ccc(CC(O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H17ClN2O/c1-10(2)17-7-6-13(16-17)9-14(18)11-4-3-5-12(15)8-11/h3-8,10,14,18H,9H2,1-2H3
InChIKeyVMLAXIMNPUYROZ-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103317
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
1-(3-bromo-5-fluorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 66424827
1-(3-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64786047
1-(4-bromo-5-chlorothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 102830009
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 79980806
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
1-(3-chlorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64783752
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
1-(4-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64773157

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol (CID 64772954) is 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is CC(C)n1ccc(CC(O)c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
The InChIKey is VMLAXIMNPUYROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10(2)17-7-6-13(16-17)9-14(18)11-4-3-5-12(15)8-11/h3-8,10,14,18H,9H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol?
1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol has a molecular weight of 264.76 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64772954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).