1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

C10H13F3N2O — CID 134331591

IUPAC1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C1COC1
InChIInChI=1S/C10H13F3N2O/c1-6(2)8-3-9(10(11,12)13)14-15(8)7-4-16-5-7/h3,6-7H,4-5H2,1-2H3
InChIKeyGMIYFESJWOVGNB-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.60
Rot. Bonds2

About 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole

1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 134331591) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID134331591
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1C1COC1
InChIInChI=1S/C10H13F3N2O/c1-6(2)8-3-9(10(11,12)13)14-15(8)7-4-16-5-7/h3,6-7H,4-5H2,1-2H3
InChIKeyGMIYFESJWOVGNB-UHFFFAOYSA-N
XLogP2.60
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 134331591) is 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)nn1C1COC1.
What is the InChIKey of 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is GMIYFESJWOVGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6(2)8-3-9(10(11,12)13)14-15(8)7-4-16-5-7/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 134331591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).