1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole

C7H9F3N2O — CID 59146360

IUPAC1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCn1cc(C)c(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O/c1-5-3-12(4-13-2)11-6(5)7(8,9)10/h3H,4H2,1-2H3
InChIKeySCCSDOLNXQSHBQ-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.81
Rot. Bonds2

About 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole

1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 59146360) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole
PubChem CID59146360
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCn1cc(C)c(C(F)(F)F)n1
InChIInChI=1S/C7H9F3N2O/c1-5-3-12(4-13-2)11-6(5)7(8,9)10/h3H,4H2,1-2H3
InChIKeySCCSDOLNXQSHBQ-UHFFFAOYSA-N
XLogP1.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole (CID 59146360) is 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole is COCn1cc(C)c(C(F)(F)F)n1.
What is the InChIKey of 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is SCCSDOLNXQSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-5-3-12(4-13-2)11-6(5)7(8,9)10/h3H,4H2,1-2H3.
What are the key properties of 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole?
1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 59146360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).