1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole

C13H19F3N2O2 — CID 126764366

IUPAC1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCOCCn1nc(C(F)(F)F)cc1C1CC(C)CCO1
InChIInChI=1S/C13H19F3N2O2/c1-9-3-5-20-11(7-9)10-8-12(13(14,15)16)17-18(10)4-6-19-2/h8-9,11H,3-7H2,1-2H3
InChIKeyVWZLTULAFOGWMS-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.04
Rot. Bonds4

About 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole

1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 126764366) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID126764366
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCOCCn1nc(C(F)(F)F)cc1C1CC(C)CCO1
InChIInChI=1S/C13H19F3N2O2/c1-9-3-5-20-11(7-9)10-8-12(13(14,15)16)17-18(10)4-6-19-2/h8-9,11H,3-7H2,1-2H3
InChIKeyVWZLTULAFOGWMS-UHFFFAOYSA-N
XLogP3.04
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)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 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole (CID 126764366) is 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole is COCCn1nc(C(F)(F)F)cc1C1CC(C)CCO1.
What is the InChIKey of 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is VWZLTULAFOGWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-9-3-5-20-11(7-9)10-8-12(13(14,15)16)17-18(10)4-6-19-2/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole?
1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 292.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-5-(4-methyloxan-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 126764366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).