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

C11H15F3N2O — CID 130210327

IUPAC1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1CC1COC1
InChIInChI=1S/C11H15F3N2O/c1-7(2)9-3-10(11(12,13)14)15-16(9)4-8-5-17-6-8/h3,7-8H,4-6H2,1-2H3
InChIKeyQDHBOLVKMRZXDA-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.67
Rot. Bonds3

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

1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 130210327) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID130210327
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)nn1CC1COC1
InChIInChI=1S/C11H15F3N2O/c1-7(2)9-3-10(11(12,13)14)15-16(9)4-8-5-17-6-8/h3,7-8H,4-6H2,1-2H3
InChIKeyQDHBOLVKMRZXDA-UHFFFAOYSA-N
XLogP2.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole (CID 130210327) is 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)nn1CC1COC1.
What is the InChIKey of 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is QDHBOLVKMRZXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-7(2)9-3-10(11(12,13)14)15-16(9)4-8-5-17-6-8/h3,7-8H,4-6H2,1-2H3.
What are the key properties of 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole?
1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 248.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 130210327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).