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

C15H15ClF2N2O — CID 115778565

IUPAC2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
SMILESCCc1nn(CC)c(CC(=O)c2cccc(F)c2F)c1Cl
InChIInChI=1S/C15H15ClF2N2O/c1-3-11-14(16)12(20(4-2)19-11)8-13(21)9-6-5-7-10(17)15(9)18/h5-7H,3-4,8H2,1-2H3
InChIKeyQQJJPBBQGVKMCI-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.82
Rot. Bonds5

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

2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone (PubChem CID 115778565) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
PubChem CID115778565
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC Name2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
SMILESCCc1nn(CC)c(CC(=O)c2cccc(F)c2F)c1Cl
InChIInChI=1S/C15H15ClF2N2O/c1-3-11-14(16)12(20(4-2)19-11)8-13(21)9-6-5-7-10(17)15(9)18/h5-7H,3-4,8H2,1-2H3
InChIKeyQQJJPBBQGVKMCI-UHFFFAOYSA-N
XLogP3.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 114980424
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115778645
1-(2-bromo-4-fluorophenyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanone
CID 115778632
1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 107538202
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
CID 114980588
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(1-methylimidazol-4-yl)ethanone
CID 107977055
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-4-pyridinyl)ethanone
CID 106754690
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanone
CID 107984540
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448183
1-amino-3-(4-chloro-1,3-diethylpyrazol-5-yl)propan-2-one
CID 116548422
1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562558
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-methyl-1,3-thiazol-5-yl)ethanone
CID 114031567

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone?
The IUPAC name of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone (CID 115778565) is 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone?
The canonical SMILES for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone is CCc1nn(CC)c(CC(=O)c2cccc(F)c2F)c1Cl.
What is the InChIKey of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone?
The InChIKey is QQJJPBBQGVKMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-3-11-14(16)12(20(4-2)19-11)8-13(21)9-6-5-7-10(17)15(9)18/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone?
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone has a molecular weight of 312.75 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone is sourced from PubChem (CID 115778565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).