1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone

C7H8F2N2O2 — CID 118674915

IUPAC1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(OC(F)F)n(C)n1
InChIInChI=1S/C7H8F2N2O2/c1-4(12)5-3-6(11(2)10-5)13-7(8)9/h3,7H,1-2H3
InChIKeyQAFAKWSIIPSIHS-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.22
Rot. Bonds3

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

1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone (PubChem CID 118674915) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone
PubChem CID118674915
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone
SMILESCC(=O)c1cc(OC(F)F)n(C)n1
InChIInChI=1S/C7H8F2N2O2/c1-4(12)5-3-6(11(2)10-5)13-7(8)9/h3,7H,1-2H3
InChIKeyQAFAKWSIIPSIHS-UHFFFAOYSA-N
XLogP1.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone (CID 118674915) is 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone is CC(=O)c1cc(OC(F)F)n(C)n1.
What is the InChIKey of 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone?
The InChIKey is QAFAKWSIIPSIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-4(12)5-3-6(11(2)10-5)13-7(8)9/h3,7H,1-2H3.
What are the key properties of 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone?
1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone has a molecular weight of 190.15 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethoxy)-1-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 118674915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).