1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone

C11H8F2N2O — CID 21253998

IUPAC1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)c1ccc(F)cc1F
InChIInChI=1S/C11H8F2N2O/c12-8-2-3-9(10(13)6-8)11(16)7-15-5-1-4-14-15/h1-6H,7H2
InChIKeyDSDRAJORYAYJKJ-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.04
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone

1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone (PubChem CID 21253998) has the molecular formula C11H8F2N2O and a molecular weight of 222.19 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone
PubChem CID21253998
Molecular FormulaC11H8F2N2O
Molecular Weight222.19 g/mol
Exact Mass222.06
IUPAC Name1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)c1ccc(F)cc1F
InChIInChI=1S/C11H8F2N2O/c12-8-2-3-9(10(13)6-8)11(16)7-15-5-1-4-14-15/h1-6H,7H2
InChIKeyDSDRAJORYAYJKJ-UHFFFAOYSA-N
XLogP2.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-2-(3-nitro-1,2,4-triazol-1-yl)ethanone
CID 60974663
1-(2,4-difluorophenyl)-2-piperidin-1-ylethanone
CID 43227135
1-(2,4-difluorophenyl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone chloride
CID 87585429
2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
N-(4-fluoro-2-iodophenyl)-2-pyrazol-1-ylacetamide
CID 79766967
2-bromo-1-(2,4-difluorophenyl)ethanone
CID 2774185
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017862
1-(2,4-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62942450
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557
1-[2-methyl-4-(4-methylphenoxy)phenyl]-2-pyrazol-1-ylethanone
CID 90208962
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
1-(2,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 18956540

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone (CID 21253998) is 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone?
The InChIKey is DSDRAJORYAYJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O/c12-8-2-3-9(10(13)6-8)11(16)7-15-5-1-4-14-15/h1-6H,7H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone?
1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone has a molecular weight of 222.19 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-pyrazol-1-ylethanone is sourced from PubChem (CID 21253998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).