(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol

C13H13F3N2O2 — CID 83090224

IUPAC(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1nn(C)cc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2/c1-8-11(7-18(2)17-8)12(19)9-4-3-5-10(6-9)20-13(14,15)16/h3-7,12,19H,1-2H3
InChIKeyZVBRXIRCICVYMP-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.71
Rot. Bonds3

About (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol

(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol (PubChem CID 83090224) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
PubChem CID83090224
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
SMILESCc1nn(C)cc1C(O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O2/c1-8-11(7-18(2)17-8)12(19)9-4-3-5-10(6-9)20-13(14,15)16/h3-7,12,19H,1-2H3
InChIKeyZVBRXIRCICVYMP-UHFFFAOYSA-N
XLogP2.71
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
CID 83091659
(3,6-dimethylpyridazin-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096591
(3-methylimidazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 66118408
(2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62916192
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
(2-methyl-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 106756192
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
(3-methoxy-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105066282
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 63661812
2-(1-methylpyrazol-4-yl)-1-[3-(trifluoromethoxy)phenyl]ethanol
CID 107105009
(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 83090741

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol (CID 83090224) is (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol is Cc1nn(C)cc1C(O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
The InChIKey is ZVBRXIRCICVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c1-8-11(7-18(2)17-8)12(19)9-4-3-5-10(6-9)20-13(14,15)16/h3-7,12,19H,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol?
(1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol has a molecular weight of 286.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[3-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 83090224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).