2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone

C13H12F2N2O — CID 105124609

IUPAC2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(F)c(F)c2)n(C)n1
InChIInChI=1S/C13H12F2N2O/c1-8-5-12(17(2)16-8)13(18)7-9-3-4-10(14)11(15)6-9/h3-6H,7H2,1-2H3
InChIKeyMJLKXKMQPLRPQO-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.43
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone

2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone (PubChem CID 105124609) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
PubChem CID105124609
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
SMILESCc1cc(C(=O)Cc2ccc(F)c(F)c2)n(C)n1
InChIInChI=1S/C13H12F2N2O/c1-8-5-12(17(2)16-8)13(18)7-9-3-4-10(14)11(15)6-9/h3-6H,7H2,1-2H3
InChIKeyMJLKXKMQPLRPQO-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105078035
1-(2,5-dimethylpyrazol-3-yl)-2-pyridin-4-ylethanone
CID 105110466
2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 103042823
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 105086017
1-(5-amino-1-methylpyrazol-4-yl)-2-(3,4-difluorophenyl)ethanone
CID 82919912
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 105109337
2-(3-chloro-4-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 103042869
2-(5-bromothiophen-2-yl)-1-(2,5-dimethylpyrazol-3-yl)ethanone
CID 105088833
1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 115481784
1-(2,5-dibromo-4-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 81472993
2-(3,4-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 82920507
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone (CID 105124609) is 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone is Cc1cc(C(=O)Cc2ccc(F)c(F)c2)n(C)n1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
The InChIKey is MJLKXKMQPLRPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8-5-12(17(2)16-8)13(18)7-9-3-4-10(14)11(15)6-9/h3-6H,7H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone?
2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone has a molecular weight of 250.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanone is sourced from PubChem (CID 105124609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).