[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol

C12H10F4N2O — CID 69280241

IUPAC[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol
SMILESCn1nc(-c2ccc(F)c(C(F)(F)F)c2)cc1CO
InChIInChI=1S/C12H10F4N2O/c1-18-8(6-19)5-11(17-18)7-2-3-10(13)9(4-7)12(14,15)16/h2-5,19H,6H2,1H3
InChIKeyGOAXUSZMVXOUJT-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.74
Rot. Bonds2

About [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol

[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol (PubChem CID 69280241) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol
PubChem CID69280241
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol
SMILESCn1nc(-c2ccc(F)c(C(F)(F)F)c2)cc1CO
InChIInChI=1S/C12H10F4N2O/c1-18-8(6-19)5-11(17-18)7-2-3-10(13)9(4-7)12(14,15)16/h2-5,19H,6H2,1H3
InChIKeyGOAXUSZMVXOUJT-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
(2-methyl-2H-indazol-3-yl)methanol
CID 7537584
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 56781756
{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
CID 24229659
(1-methyl-1H-indazol-3-yl)methanol
CID 7164546
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
2-[5-(Hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol
CID 50908372
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-(4-fluorophenyl)ethanol
CID 56781744
1-(1-methyl-3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155540342
1-Methyl-3-phenyl-1H-pyrazole-5-methanol
CID 7537632

Frequently Asked Questions

What is the IUPAC name of [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol?
The IUPAC name of [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol (CID 69280241) is [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol?
The canonical SMILES for [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol is Cn1nc(-c2ccc(F)c(C(F)(F)F)c2)cc1CO.
What is the InChIKey of [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol?
The InChIKey is GOAXUSZMVXOUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-18-8(6-19)5-11(17-18)7-2-3-10(13)9(4-7)12(14,15)16/h2-5,19H,6H2,1H3.
What are the key properties of [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol?
[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol has a molecular weight of 274.22 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 69280241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).