5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole

C7H9F3N2O — CID 91806809

IUPAC5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCOCc1ccnn1CC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-13-4-6-2-3-11-12(6)5-7(8,9)10/h2-3H,4-5H2,1H3
InChIKeyYUGWVDJGPHAGFL-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.59
Rot. Bonds3

About 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole

5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 91806809) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID91806809
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCOCc1ccnn1CC(F)(F)F
InChIInChI=1S/C7H9F3N2O/c1-13-4-6-2-3-11-12(6)5-7(8,9)10/h2-3H,4-5H2,1H3
InChIKeyYUGWVDJGPHAGFL-UHFFFAOYSA-N
XLogP1.59
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole (CID 91806809) is 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole is COCc1ccnn1CC(F)(F)F.
What is the InChIKey of 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is YUGWVDJGPHAGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-13-4-6-2-3-11-12(6)5-7(8,9)10/h2-3H,4-5H2,1H3.
What are the key properties of 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole?
5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 194.16 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 91806809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).