{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol

C12H11F3N2O — CID 24229659

IUPAC[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol
SMILESCN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2CO
InChIInChI=1S/C12H11F3N2O/c1-17-10(6-11(16-17)12(13,14)15)9-5-3-2-4-8(9)7-18/h2-6,18H,7H2,1H3
InChIKeyHLMRFDCLSUXVQC-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.90
Rot. Bonds2

About {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol

{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol (PubChem CID 24229659) has the molecular formula C12H11F3N2O and a molecular weight of 256.22 g/mol. Its IUPAC name is [2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
PubChem CID24229659
Molecular FormulaC12H11F3N2O
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC Name[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol
SMILESCN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2CO
InChIInChI=1S/C12H11F3N2O/c1-17-10(6-11(16-17)12(13,14)15)9-5-3-2-4-8(9)7-18/h2-6,18H,7H2,1H3
InChIKeyHLMRFDCLSUXVQC-UHFFFAOYSA-N
XLogP1.90
TPSA38.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity285

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)[2-(trifluoromethyl)phenyl]methanol
CID 3740021
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-[1-Methyl-3-(1,1,2,2-tetrafluoroethyl)pyrazol-5-yl]phenol
CID 972477
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
2-[3-(3,5-Dimethylpyrazol-1-yl)azetidin-1-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 56781756
[3-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]methanol
CID 16640531
(2-Methyl-2H-indazol-4-yl)methanol
CID 44119267
(1-methyl-1H-indazol-3-yl)methanol
CID 7164546
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447

Frequently Asked Questions

What is the IUPAC name of {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol?
The IUPAC name of {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol (CID 24229659) is [2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methanol.
What is the SMILES notation for {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol?
The canonical SMILES for {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol is CN1C(=CC(=N1)C(F)(F)F)C2=CC=CC=C2CO.
What is the InChIKey of {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol?
The InChIKey is HLMRFDCLSUXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-17-10(6-11(16-17)12(13,14)15)9-5-3-2-4-8(9)7-18/h2-6,18H,7H2,1H3.
What are the key properties of {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol?
{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol has a molecular weight of 256.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for {2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol is sourced from PubChem (CID 24229659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).