2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone

C13H12ClFN2O — CID 114219106

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2cccc(Cl)c2F)nn1C
InChIInChI=1S/C13H12ClFN2O/c1-8-6-11(16-17(8)2)12(18)7-9-4-3-5-10(14)13(9)15/h3-6H,7H2,1-2H3
InChIKeyFUKVMKJXDPRJIZ-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.95
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 114219106) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone
PubChem CID114219106
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2cccc(Cl)c2F)nn1C
InChIInChI=1S/C13H12ClFN2O/c1-8-6-11(16-17(8)2)12(18)7-9-4-3-5-10(14)13(9)15/h3-6H,7H2,1-2H3
InChIKeyFUKVMKJXDPRJIZ-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone
CID 102857277
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 19473143
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
2-(3-chloro-2-fluorophenyl)-1-(5-methylthiophen-3-yl)ethanone
CID 82802930
1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 82803269
1-(3-chloro-2-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
CID 105421466

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone (CID 114219106) is 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(C(=O)Cc2cccc(Cl)c2F)nn1C.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is FUKVMKJXDPRJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-6-11(16-17(8)2)12(18)7-9-4-3-5-10(14)13(9)15/h3-6H,7H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 266.70 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 114219106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).