[1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

C7H9F3N2O2 — CID 126744240

IUPAC[1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCOCn1nc(C(F)(F)F)cc1CO
InChIInChI=1S/C7H9F3N2O2/c1-14-4-12-5(3-13)2-6(11-12)7(8,9)10/h2,13H,3-4H2,1H3
InChIKeyGJIYXXQWMAECEA-UHFFFAOYSA-N
MW210.15 g/mol
LogP1.00
Rot. Bonds3

About [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol

[1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (PubChem CID 126744240) has the molecular formula C7H9F3N2O2 and a molecular weight of 210.15 g/mol. Its IUPAC name is [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
PubChem CID126744240
Molecular FormulaC7H9F3N2O2
Molecular Weight210.15 g/mol
Exact Mass210.06
IUPAC Name[1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol
SMILESCOCn1nc(C(F)(F)F)cc1CO
InChIInChI=1S/C7H9F3N2O2/c1-14-4-12-5(3-13)2-6(11-12)7(8,9)10/h2,13H,3-4H2,1H3
InChIKeyGJIYXXQWMAECEA-UHFFFAOYSA-N
XLogP1.00
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The IUPAC name of [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol (CID 126744240) is [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The canonical SMILES for [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is COCn1nc(C(F)(F)F)cc1CO.
What is the InChIKey of [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
The InChIKey is GJIYXXQWMAECEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2/c1-14-4-12-5(3-13)2-6(11-12)7(8,9)10/h2,13H,3-4H2,1H3.
What are the key properties of [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol?
[1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol has a molecular weight of 210.15 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)-3-(trifluoromethyl)pyrazol-5-yl]methanol is sourced from PubChem (CID 126744240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).