1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C16H21FN2O — CID 64783495

IUPAC1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2ccccc2F)n1
InChIInChI=1S/C16H21FN2O/c1-3-13(4-2)19-10-9-12(18-19)11-16(20)14-7-5-6-8-15(14)17/h5-10,13,16,20H,3-4,11H2,1-2H3
InChIKeyMTDYPAYJOPVVHE-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.66
Rot. Bonds6

About 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 64783495) has the molecular formula C16H21FN2O and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID64783495
Molecular FormulaC16H21FN2O
Molecular Weight276.36 g/mol
Exact Mass276.16
IUPAC Name1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2ccccc2F)n1
InChIInChI=1S/C16H21FN2O/c1-3-13(4-2)19-10-9-12(18-19)11-16(20)14-7-5-6-8-15(14)17/h5-10,13,16,20H,3-4,11H2,1-2H3
InChIKeyMTDYPAYJOPVVHE-UHFFFAOYSA-N
XLogP3.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64784853
1-(3-bromo-2-chlorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115807950
1-(2-amino-5-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 82683168
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 107947554
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
CID 64784265
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-fluoro-5-methylphenyl)ethanol
CID 115806312
1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
1-(3-methylimidazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 66116921
1-(5-ethylfuran-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783113

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 64783495) is 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)c2ccccc2F)n1.
What is the InChIKey of 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is MTDYPAYJOPVVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-3-13(4-2)19-10-9-12(18-19)11-16(20)14-7-5-6-8-15(14)17/h5-10,13,16,20H,3-4,11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 276.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64783495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).