1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C10H13F3N2O2 — CID 103214100

IUPAC1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCCn1nccc1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-2-5-15-8(3-4-14-15)9(16)6-17-7-10(11,12)13/h3-4H,2,5-7H2,1H3
InChIKeyFXQNUCKQHAGGEF-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.05
Rot. Bonds6

About 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 103214100) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID103214100
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCCn1nccc1C(=O)COCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2/c1-2-5-15-8(3-4-14-15)9(16)6-17-7-10(11,12)13/h3-4H,2,5-7H2,1H3
InChIKeyFXQNUCKQHAGGEF-UHFFFAOYSA-N
XLogP2.05
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 103214100) is 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is CCCn1nccc1C(=O)COCC(F)(F)F.
What is the InChIKey of 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is FXQNUCKQHAGGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-2-5-15-8(3-4-14-15)9(16)6-17-7-10(11,12)13/h3-4H,2,5-7H2,1H3.
What are the key properties of 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 250.22 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 103214100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).