2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone

C13H12F2N2O — CID 114972520

IUPAC2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
SMILESCCn1nccc1C(=O)Cc1cccc(F)c1F
InChIInChI=1S/C13H12F2N2O/c1-2-17-11(6-7-16-17)12(18)8-9-4-3-5-10(14)13(9)15/h3-7H,2,8H2,1H3
InChIKeyJJSZRDDATUFRSF-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.61
Rot. Bonds4

About 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone

2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone (PubChem CID 114972520) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
PubChem CID114972520
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
SMILESCCn1nccc1C(=O)Cc1cccc(F)c1F
InChIInChI=1S/C13H12F2N2O/c1-2-17-11(6-7-16-17)12(18)8-9-4-3-5-10(14)13(9)15/h3-7H,2,8H2,1H3
InChIKeyJJSZRDDATUFRSF-UHFFFAOYSA-N
XLogP2.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 63974650
1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethanone
CID 63974223
2-(2,3-difluorophenyl)-1-(1-propylpyrazol-4-yl)ethanone
CID 114963907
2-(2,3-difluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 79522311
1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropan-1-one
CID 105100320
1-(2-ethylpyrazol-3-yl)nonan-1-one
CID 114972411
N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
CID 35520962
N-[(2,3-difluorophenyl)methyl]-1-(2-ethylpyrazol-3-yl)ethanamine
CID 19625158
1-(2,3-difluorophenyl)-3-propylsulfanylpropan-2-one
CID 65129882
3-(diethylamino)-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 79077603
1-(3-chloro-4-fluorophenyl)-2-(2,3-difluorophenyl)ethanone
CID 63093654
6-amino-1-(2-ethylpyrazol-3-yl)-4,4-dimethylhexan-1-one
CID 116574759

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone (CID 114972520) is 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone is CCn1nccc1C(=O)Cc1cccc(F)c1F.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The InChIKey is JJSZRDDATUFRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-2-17-11(6-7-16-17)12(18)8-9-4-3-5-10(14)13(9)15/h3-7H,2,8H2,1H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone?
2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone has a molecular weight of 250.25 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114972520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).