(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol

C12H13FN2O — CID 63372283

IUPAC(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
SMILESCc1ccn(-c2ccc(F)cc2[C@@H](C)O)n1
InChIInChI=1S/C12H13FN2O/c1-8-5-6-15(14-8)12-4-3-10(13)7-11(12)9(2)16/h3-7,9,16H,1-2H3/t9-/m1/s1
InChIKeyDWJYODHNHKMMPC-SECBINFHSA-N
MW220.25 g/mol
LogP2.37
Rot. Bonds2

About (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol

(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol (PubChem CID 63372283) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
PubChem CID63372283
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
SMILESCc1ccn(-c2ccc(F)cc2[C@@H](C)O)n1
InChIInChI=1S/C12H13FN2O/c1-8-5-6-15(14-8)12-4-3-10(13)7-11(12)9(2)16/h3-7,9,16H,1-2H3/t9-/m1/s1
InChIKeyDWJYODHNHKMMPC-SECBINFHSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2,2-trifluoro-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 66742508
1-[2-(3-cyclopropylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 62488135
(1S)-1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 78941388
(1S)-1-[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 55184508
5-fluoro-2-(3-methylpyrazol-1-yl)benzaldehyde
CID 62489155
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 78941320
(1S)-1-[2-(4-chloropyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941315
(1R)-1-[2-(4-bromopyrazol-1-yl)-5-fluorophenyl]ethanol
CID 63372226
1-[2-fluoro-6-(3-methylpyrazol-1-yl)phenyl]ethanol
CID 62487974
1-[3-fluoro-4-(3-methylpyrazol-1-yl)phenyl]ethanamine
CID 62488667
(1S)-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941337
(1R)-1-[2-(5,6-dimethylbenzimidazol-1-yl)-5-fluorophenyl]ethanol
CID 63372224

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol (CID 63372283) is (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol is Cc1ccn(-c2ccc(F)cc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol?
The InChIKey is DWJYODHNHKMMPC-SECBINFHSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-5-6-15(14-8)12-4-3-10(13)7-11(12)9(2)16/h3-7,9,16H,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol?
(1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol has a molecular weight of 220.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-fluoro-2-(3-methylpyrazol-1-yl)phenyl]ethanol is sourced from PubChem (CID 63372283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).