1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole

C10H15F3N2O — CID 115598524

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole
SMILESCC(C)(C)OCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O/c1-9(2,3)16-7-6-15-5-4-8(14-15)10(11,12)13/h4-5H,6-7H2,1-3H3
InChIKeyBGFLFEXKCSGGAK-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole

1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole (PubChem CID 115598524) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole
PubChem CID115598524
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole
SMILESCC(C)(C)OCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N2O/c1-9(2,3)16-7-6-15-5-4-8(14-15)10(11,12)13/h4-5H,6-7H2,1-3H3
InChIKeyBGFLFEXKCSGGAK-UHFFFAOYSA-N
XLogP2.72
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole (CID 115598524) is 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole is CC(C)(C)OCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is BGFLFEXKCSGGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-9(2,3)16-7-6-15-5-4-8(14-15)10(11,12)13/h4-5H,6-7H2,1-3H3.
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole?
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 236.24 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 115598524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).