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

C7H9F3N2O — CID 90167617

IUPAC4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-12-3-5(4-13-2)6(11-12)7(8,9)10/h3H,4H2,1-2H3
InChIKeyBONCSUCXOWMROV-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.59
Rot. Bonds2

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

4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 90167617) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID90167617
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCOCc1cn(C)nc1C(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-12-3-5(4-13-2)6(11-12)7(8,9)10/h3H,4H2,1-2H3
InChIKeyBONCSUCXOWMROV-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 90167617) is 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole is COCc1cn(C)nc1C(F)(F)F.
What is the InChIKey of 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is BONCSUCXOWMROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-12-3-5(4-13-2)6(11-12)7(8,9)10/h3H,4H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole?
4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 90167617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).