2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone

C13H12ClFN2O — CID 63974650

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
SMILESCCn1nccc1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-2-17-12(6-7-16-17)13(18)8-9-10(14)4-3-5-11(9)15/h3-7H,2,8H2,1H3
InChIKeyTWLOHHDJPLKYJC-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.12
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone (PubChem CID 63974650) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
PubChem CID63974650
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
SMILESCCn1nccc1C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H12ClFN2O/c1-2-17-12(6-7-16-17)13(18)8-9-10(14)4-3-5-11(9)15/h3-7H,2,8H2,1H3
InChIKeyTWLOHHDJPLKYJC-UHFFFAOYSA-N
XLogP3.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 114972520
1-(2-chloro-6-fluorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 55144645
2-(2-chloro-6-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanone
CID 107976486
2-(2-chloro-6-fluorophenyl)-1-(3-ethyl-2-pyridinyl)ethanone
CID 82730026
1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethanone
CID 63974223
2-(2-chloro-6-fluorophenyl)-1-(4-ethylphenyl)ethanone
CID 43160436
2-(2-chloro-6-fluorophenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105349147
2-(2-chloro-6-fluorophenyl)-1-imidazol-1-ylethanone
CID 82117132
(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 63976130
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114639632
1-(2-chloro-4,5-difluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 107475686
1-(4-tert-butylphenyl)-2-(2-chloro-6-fluorophenyl)ethanone
CID 43337746

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone (CID 63974650) is 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone is CCn1nccc1C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone?
The InChIKey is TWLOHHDJPLKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-2-17-12(6-7-16-17)13(18)8-9-10(14)4-3-5-11(9)15/h3-7H,2,8H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone has a molecular weight of 266.70 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 63974650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).