1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C16H20F2N2O — CID 64784853

IUPAC1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2cccc(F)c2F)n1
InChIInChI=1S/C16H20F2N2O/c1-3-12(4-2)20-9-8-11(19-20)10-15(21)13-6-5-7-14(17)16(13)18/h5-9,12,15,21H,3-4,10H2,1-2H3
InChIKeyUJQIXQNPTCNNJV-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.80
Rot. Bonds6

About 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 64784853) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID64784853
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2cccc(F)c2F)n1
InChIInChI=1S/C16H20F2N2O/c1-3-12(4-2)20-9-8-11(19-20)10-15(21)13-6-5-7-14(17)16(13)18/h5-9,12,15,21H,3-4,10H2,1-2H3
InChIKeyUJQIXQNPTCNNJV-UHFFFAOYSA-N
XLogP3.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783495
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
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869875
2-(1-pentan-3-ylpyrazol-3-yl)-1-pyridin-3-ylethanol
CID 64784265
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461531
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
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
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 64784853) is 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)c2cccc(F)c2F)n1.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is UJQIXQNPTCNNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-3-12(4-2)20-9-8-11(19-20)10-15(21)13-6-5-7-14(17)16(13)18/h5-9,12,15,21H,3-4,10H2,1-2H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 294.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 64784853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).