1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

C16H18ClFN2O — CID 64785666

IUPAC1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)c1cccc(Cl)c1F
InChIInChI=1S/C16H18ClFN2O/c17-14-7-3-6-13(16(14)18)15(21)10-11-8-9-20(19-11)12-4-1-2-5-12/h3,6-9,12,15,21H,1-2,4-5,10H2
InChIKeyZIVDEUQWTKQFPX-UHFFFAOYSA-N
MW308.78 g/mol
LogP4.07
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol

1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (PubChem CID 64785666) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
PubChem CID64785666
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
SMILESOC(Cc1ccn(C2CCCC2)n1)c1cccc(Cl)c1F
InChIInChI=1S/C16H18ClFN2O/c17-14-7-3-6-13(16(14)18)15(21)10-11-8-9-20(19-11)12-4-1-2-5-12/h3,6-9,12,15,21H,1-2,4-5,10H2
InChIKeyZIVDEUQWTKQFPX-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869875
2-(1-cyclopentylpyrazol-3-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994021
1-(2-bromophenyl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 64786012
2-(1-cyclohexylpyrazol-3-yl)-1-(2-iodophenyl)ethanol
CID 115805134
1-(2-bromofuran-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 106859308
1-(4-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 64784263
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
1-(2-bromo-3-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104994013
1-(5-amino-1H-pyrazol-4-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanol
CID 65362107
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 66425230
1-(2-bromo-5-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol
CID 115810015

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol (CID 64785666) is 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is OC(Cc1ccn(C2CCCC2)n1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
The InChIKey is ZIVDEUQWTKQFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c17-14-7-3-6-13(16(14)18)15(21)10-11-8-9-20(19-11)12-4-1-2-5-12/h3,6-9,12,15,21H,1-2,4-5,10H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol?
1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol has a molecular weight of 308.78 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64785666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).