(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol

C13H15FN2O — CID 55184508

IUPAC(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
SMILESCc1cc(C)n(-c2ccc(F)cc2[C@H](C)O)n1
InChIInChI=1S/C13H15FN2O/c1-8-6-9(2)16(15-8)13-5-4-11(14)7-12(13)10(3)17/h4-7,10,17H,1-3H3/t10-/m0/s1
InChIKeyUORSVUUZZCVIIU-JTQLQIEISA-N
MW234.27 g/mol
LogP2.68
Rot. Bonds2

About (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol

(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol (PubChem CID 55184508) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
PubChem CID55184508
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
SMILESCc1cc(C)n(-c2ccc(F)cc2[C@H](C)O)n1
InChIInChI=1S/C13H15FN2O/c1-8-6-9(2)16(15-8)13-5-4-11(14)7-12(13)10(3)17/h4-7,10,17H,1-3H3/t10-/m0/s1
InChIKeyUORSVUUZZCVIIU-JTQLQIEISA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 82970956
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 78941320
(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 63372283
(1S)-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941337
3,5-dimethyl-1-(2-propan-2-ylphenyl)pyrazole
CID 82078471
1-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]imidazole-4-carbonitrile;1-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]imidazole-4-carbonitrile
CID 165017109
(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol
CID 63372224
N-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63072475
2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 83823935
(3aS,5S,6R,7aR)-2-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 77086900
1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone
CID 164997644
1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 62488135

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol?
The IUPAC name of (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol (CID 55184508) is (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol.
What is the SMILES notation for (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol?
The canonical SMILES for (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol is Cc1cc(C)n(-c2ccc(F)cc2[C@H](C)O)n1.
What is the InChIKey of (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol?
The InChIKey is UORSVUUZZCVIIU-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-6-9(2)16(15-8)13-5-4-11(14)7-12(13)10(3)17/h4-7,10,17H,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol?
(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol has a molecular weight of 234.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol is sourced from PubChem (CID 55184508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).