2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C14H14ClFN2O — CID 103042823

IUPAC2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(C(=O)Cc2ccc(F)c(Cl)c2)n(C)n1
InChIInChI=1S/C14H14ClFN2O/c1-3-10-8-13(18(2)17-10)14(19)7-9-4-5-12(16)11(15)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyUSXRGLUZVQJEKP-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.20
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone

2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 103042823) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID103042823
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(C(=O)Cc2ccc(F)c(Cl)c2)n(C)n1
InChIInChI=1S/C14H14ClFN2O/c1-3-10-8-13(18(2)17-10)14(19)7-9-4-5-12(16)11(15)6-9/h4-6,8H,3,7H2,1-2H3
InChIKeyUSXRGLUZVQJEKP-UHFFFAOYSA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086017
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 136558217
2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105124609
2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105078035
(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 105100921
2-(3-chloro-4-fluorophenyl)-1-phenylethanone
CID 67471302
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
2-(1-butan-2-ylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105105447
1-(3-chloro-4-fluorophenyl)-3-ethylpentan-2-one
CID 103042772

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 103042823) is 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(C(=O)Cc2ccc(F)c(Cl)c2)n(C)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is USXRGLUZVQJEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-3-10-8-13(18(2)17-10)14(19)7-9-4-5-12(16)11(15)6-9/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 280.73 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 103042823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).