1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C11H15F3N2O3 — CID 103214421

IUPAC1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCCn1ncc(OC)c1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-3-4-16-10(9(18-2)5-15-16)8(17)6-19-7-11(12,13)14/h5H,3-4,6-7H2,1-2H3
InChIKeyDYTWIQYISPNYNG-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.06
Rot. Bonds7

About 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214421) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214421
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCCn1ncc(OC)c1C(=O)COCC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c1-3-4-16-10(9(18-2)5-15-16)8(17)6-19-7-11(12,13)14/h5H,3-4,6-7H2,1-2H3
InChIKeyDYTWIQYISPNYNG-UHFFFAOYSA-N
XLogP2.06
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214421) is 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is CCCn1ncc(OC)c1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is DYTWIQYISPNYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c1-3-4-16-10(9(18-2)5-15-16)8(17)6-19-7-11(12,13)14/h5H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 280.25 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).