5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole

C9H11F3N2O — CID 169072222

IUPAC5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1CC1COC1
InChIInChI=1S/C9H11F3N2O/c1-6-2-8(9(10,11)12)13-14(6)3-7-4-15-5-7/h2,7H,3-5H2,1H3
InChIKeyJDYZDDOCMWUMAH-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.86
Rot. Bonds2

About 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole

5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 169072222) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID169072222
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)nn1CC1COC1
InChIInChI=1S/C9H11F3N2O/c1-6-2-8(9(10,11)12)13-14(6)3-7-4-15-5-7/h2,7H,3-5H2,1H3
InChIKeyJDYZDDOCMWUMAH-UHFFFAOYSA-N
XLogP1.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole (CID 169072222) is 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)nn1CC1COC1.
What is the InChIKey of 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is JDYZDDOCMWUMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-6-2-8(9(10,11)12)13-14(6)3-7-4-15-5-7/h2,7H,3-5H2,1H3.
What are the key properties of 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 220.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 169072222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).