2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone

C15H15BrF2N2O — CID 114980268

IUPAC2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone
SMILESCCn1nc(C)c(Br)c1CC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H15BrF2N2O/c1-4-20-13(15(16)9(3)19-20)7-14(21)10-5-8(2)11(17)6-12(10)18/h5-6H,4,7H2,1-3H3
InChIKeyMLMVZIOWGUSYCS-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.99
Rot. Bonds4

About 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone (PubChem CID 114980268) has the molecular formula C15H15BrF2N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone
PubChem CID114980268
Molecular FormulaC15H15BrF2N2O
Molecular Weight357.20 g/mol
Exact Mass356.03
IUPAC Name2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone
SMILESCCn1nc(C)c(Br)c1CC(=O)c1cc(C)c(F)cc1F
InChIInChI=1S/C15H15BrF2N2O/c1-4-20-13(15(16)9(3)19-20)7-14(21)10-5-8(2)11(17)6-12(10)18/h5-6H,4,7H2,1-3H3
InChIKeyMLMVZIOWGUSYCS-UHFFFAOYSA-N
XLogP3.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1,1-difluoropropan-2-one
CID 112574212
1-(3-amino-4-methylphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116550914
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanone
CID 115529670
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethanone
CID 114980278
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 114980619
1-(4-bromo-2,6-difluorophenyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethanone
CID 114982154
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-5-fluorophenyl)ethanone
CID 115779453
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562485
1-(1-aminocyclopropyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116576526
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-one
CID 112694974
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115778645
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
CID 105109471

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone?
The IUPAC name of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone (CID 114980268) is 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone?
The canonical SMILES for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone is CCn1nc(C)c(Br)c1CC(=O)c1cc(C)c(F)cc1F.
What is the InChIKey of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone?
The InChIKey is MLMVZIOWGUSYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrF2N2O/c1-4-20-13(15(16)9(3)19-20)7-14(21)10-5-8(2)11(17)6-12(10)18/h5-6H,4,7H2,1-3H3.
What are the key properties of 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone?
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone has a molecular weight of 357.20 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone is sourced from PubChem (CID 114980268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).