methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol

C7H9F3N2O2 — CID 153259560

IUPACmethoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCOC(O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-12-5(7(8,9)10)4(3-11-12)6(13)14-2/h3,6,13H,1-2H3
InChIKeyWUYJFVSQLKMQJH-UHFFFAOYSA-N
MW210.16 g/mol
LogP1.08
Rot. Bonds2

About methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol

methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 153259560) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.16 g/mol. Its IUPAC name is methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Namemethoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID153259560
Molecular FormulaC7H9F3N2O2
Molecular Weight210.16 g/mol
Exact Mass210.06
IUPAC Namemethoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCOC(O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C7H9F3N2O2/c1-12-5(7(8,9)10)4(3-11-12)6(13)14-2/h3,6,13H,1-2H3
InChIKeyWUYJFVSQLKMQJH-UHFFFAOYSA-N
XLogP1.08
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.16
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanediol
CID 67183329
2,2-difluoro-2-(1-methyl-4-propan-2-ylpyrazol-5-yl)ethanol
CID 146645478
1-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)pyrazole
CID 178150124
1-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]ethanamine
CID 105477117
(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 79584669
1,1-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)propan-2-ol
CID 114636611
1-methyl-4-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]triazole
CID 166267992
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanol
CID 141194095
5-methoxy-1-methyl-4-propan-2-ylpyrazole
CID 146481002
2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)propanal
CID 114636624
2-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-2-ol
CID 114633592
4,4-dimethoxy-2-(4-methoxy-1-methylpyrazol-5-yl)butan-2-ol
CID 114636581

Frequently Asked Questions

What is the IUPAC name of methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 153259560) is methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol is COC(O)c1cnn(C)c1C(F)(F)F.
What is the InChIKey of methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is WUYJFVSQLKMQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-12-5(7(8,9)10)4(3-11-12)6(13)14-2/h3,6,13H,1-2H3.
What are the key properties of methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol?
methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 210.16 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 153259560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).