2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone

C13H12ClFN2O — CID 105135709

IUPAC2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
SMILESCc1c(C(=O)Cc2ccc(Cl)cc2F)cnn1C
InChIInChI=1S/C13H12ClFN2O/c1-8-11(7-16-17(8)2)13(18)5-9-3-4-10(14)6-12(9)15/h3-4,6-7H,5H2,1-2H3
InChIKeyYNBGFKPRMOPJJA-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.95
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone

2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone (PubChem CID 105135709) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
PubChem CID105135709
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
SMILESCc1c(C(=O)Cc2ccc(Cl)cc2F)cnn1C
InChIInChI=1S/C13H12ClFN2O/c1-8-11(7-16-17(8)2)13(18)5-9-3-4-10(14)6-12(9)15/h3-4,6-7H,5H2,1-2H3
InChIKeyYNBGFKPRMOPJJA-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone (CID 105135709) is 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone is Cc1c(C(=O)Cc2ccc(Cl)cc2F)cnn1C.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone?
The InChIKey is YNBGFKPRMOPJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-11(7-16-17(8)2)13(18)5-9-3-4-10(14)6-12(9)15/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone?
2-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-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-(4-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone is sourced from PubChem (CID 105135709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).