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

C10H13F3N2O — CID 130244242

IUPAC5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1CC1COC1
InChIInChI=1S/C10H13F3N2O/c1-2-8-3-9(10(11,12)13)14-15(8)4-7-5-16-6-7/h3,7H,2,4-6H2,1H3
InChIKeyDTWNLKAVTGULJK-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.11
Rot. Bonds3

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

5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole (PubChem CID 130244242) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
PubChem CID130244242
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole
SMILESCCc1cc(C(F)(F)F)nn1CC1COC1
InChIInChI=1S/C10H13F3N2O/c1-2-8-3-9(10(11,12)13)14-15(8)4-7-5-16-6-7/h3,7H,2,4-6H2,1H3
InChIKeyDTWNLKAVTGULJK-UHFFFAOYSA-N
XLogP2.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Butyl-1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)pyrazole
CID 21724083
1,5-Dimethyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazole
CID 14836875
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 20664188
1-Ethyl-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 20664190
2-[5-Methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]ethanamine
CID 57659611
1-[5-Ethyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-one
CID 57742259
1-(2,2-Difluoroethyl)-5-methyl-3-propan-2-ylpyrazole
CID 58029646
5-(1,1-Difluoroethyl)-1-methyl-3-propan-2-ylpyrazole
CID 58029780
1-(1-Fluoroethyl)-3-methyl-5-propan-2-ylpyrazole
CID 58030264
5-Tert-butyl-1-ethyl-3-(trifluoromethyl)pyrazole
CID 58157455
5-Tert-butyl-3-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157467
3-Tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157486

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole (CID 130244242) is 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole is CCc1cc(C(F)(F)F)nn1CC1COC1.
What is the InChIKey of 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is DTWNLKAVTGULJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-8-3-9(10(11,12)13)14-15(8)4-7-5-16-6-7/h3,7H,2,4-6H2,1H3.
What are the key properties of 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole?
5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 234.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 130244242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).