1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one

C8H10F2N2O2 — CID 146284525

IUPAC1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one
SMILESCCC(=O)c1cc(OC(F)F)nn1C
InChIInChI=1S/C8H10F2N2O2/c1-3-6(13)5-4-7(11-12(5)2)14-8(9)10/h4,8H,3H2,1-2H3
InChIKeyHYZARJFYXLPQFF-UHFFFAOYSA-N
MW204.18 g/mol
LogP1.61
Rot. Bonds4

About 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one

1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one (PubChem CID 146284525) has the molecular formula C8H10F2N2O2 and a molecular weight of 204.18 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one
PubChem CID146284525
Molecular FormulaC8H10F2N2O2
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one
SMILESCCC(=O)c1cc(OC(F)F)nn1C
InChIInChI=1S/C8H10F2N2O2/c1-3-6(13)5-4-7(11-12(5)2)14-8(9)10/h4,8H,3H2,1-2H3
InChIKeyHYZARJFYXLPQFF-UHFFFAOYSA-N
XLogP1.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one?
The IUPAC name of 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one (CID 146284525) is 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one?
The canonical SMILES for 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one is CCC(=O)c1cc(OC(F)F)nn1C.
What is the InChIKey of 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one?
The InChIKey is HYZARJFYXLPQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2/c1-3-6(13)5-4-7(11-12(5)2)14-8(9)10/h4,8H,3H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one?
1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one has a molecular weight of 204.18 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-1-methylpyrazol-5-yl]propan-1-one is sourced from PubChem (CID 146284525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).