1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol

C12H13FN2O — CID 82868986

IUPAC1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cccc(F)c2)n1
InChIInChI=1S/C12H13FN2O/c1-15-6-5-11(14-15)8-12(16)9-3-2-4-10(13)7-9/h2-7,12,16H,8H2,1H3
InChIKeyGSSIXDVCVIRBCT-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.84
Rot. Bonds3

About 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol

1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 82868986) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID82868986
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(CC(O)c2cccc(F)c2)n1
InChIInChI=1S/C12H13FN2O/c1-15-6-5-11(14-15)8-12(16)9-3-2-4-10(13)7-9/h2-7,12,16H,8H2,1H3
InChIKeyGSSIXDVCVIRBCT-UHFFFAOYSA-N
XLogP1.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
2-(1-methylpyrazol-3-yl)-1-(3-propan-2-yloxyphenyl)ethanol
CID 82869084
N-ethyl-2-(3-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871673
N-[1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82877484
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82869567
1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828801
1-(3-chloro-2-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869875
1-(5-fluoro-2-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870351
1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870137
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82868688
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol (CID 82868986) is 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(CC(O)c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is GSSIXDVCVIRBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-15-6-5-11(14-15)8-12(16)9-3-2-4-10(13)7-9/h2-7,12,16H,8H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 220.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 82868986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).