1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

C11H15F3N2O2 — CID 103214218

IUPAC1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESCCn1nc(C)cc1CC(=O)COCC(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-3-16-9(4-8(2)15-16)5-10(17)6-18-7-11(12,13)14/h4H,3,5-7H2,1-2H3
InChIKeySWTJYFIEAVEYNN-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.90
Rot. Bonds6

About 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one

1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (PubChem CID 103214218) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
PubChem CID103214218
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one
SMILESCCn1nc(C)cc1CC(=O)COCC(F)(F)F
InChIInChI=1S/C11H15F3N2O2/c1-3-16-9(4-8(2)15-16)5-10(17)6-18-7-11(12,13)14/h4H,3,5-7H2,1-2H3
InChIKeySWTJYFIEAVEYNN-UHFFFAOYSA-N
XLogP1.90
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl [3-(heptafluoropropyl)-1-methyl-1H-pyrazol-5-yl]acetate
CID 102191289
Ethyl [5-(heptafluoropropyl)-1-methyl-1H-pyrazol-3-yl]acetate
CID 125472166
1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]propan-2-one
CID 57742251
1-[3-(Fluoromethyl)-1-methylpyrazol-5-yl]propan-2-one
CID 118444806
ethyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]acetate
CID 121256213
1-(1,5-Dimethylpyrazol-3-yl)-1,1-difluoropropan-2-one
CID 123820843
1-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]propan-2-one
CID 157299865
3-(1,3-Diethylpyrazol-5-yl)-1,1,1-trifluoropropan-2-one
CID 65874019
3-(2-Ethyl-5-methylpyrazol-3-yl)-1,1,1-trifluoropropan-2-one
CID 65874020
3-(1,3-dimethyl-1H-pyrazol-5-yl)-1,1,1-trifluoropropan-2-one
CID 65874021
3-(3-Ethyl-1-methylpyrazol-5-yl)-1,1,1-trifluoropropan-2-one
CID 65874431
1-(3-Ethyl-1-methylpyrazol-5-yl)-4,4,4-trifluorobutan-2-one
CID 65875618

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The IUPAC name of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one (CID 103214218) is 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one.
What is the SMILES notation for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The canonical SMILES for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is CCn1nc(C)cc1CC(=O)COCC(F)(F)F.
What is the InChIKey of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
The InChIKey is SWTJYFIEAVEYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c1-3-16-9(4-8(2)15-16)5-10(17)6-18-7-11(12,13)14/h4H,3,5-7H2,1-2H3.
What are the key properties of 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one?
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one has a molecular weight of 264.25 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-5-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-one is sourced from PubChem (CID 103214218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).