1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone

C14H12BrClF2N2O — CID 114980619

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
SMILESCCn1nc(C)c(Cl)c1CC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrClF2N2O/c1-3-20-11(14(16)7(2)19-20)6-12(21)13-9(17)4-8(15)5-10(13)18/h4-5H,3,6H2,1-2H3
InChIKeyHCIYIFKDPZJZMB-UHFFFAOYSA-N
MW377.62 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone

1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone (PubChem CID 114980619) has the molecular formula C14H12BrClF2N2O and a molecular weight of 377.62 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
PubChem CID114980619
Molecular FormulaC14H12BrClF2N2O
Molecular Weight377.62 g/mol
Exact Mass375.98
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
SMILESCCn1nc(C)c(Cl)c1CC(=O)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H12BrClF2N2O/c1-3-20-11(14(16)7(2)19-20)6-12(21)13-9(17)4-8(15)5-10(13)18/h4-5H,3,6H2,1-2H3
InChIKeyHCIYIFKDPZJZMB-UHFFFAOYSA-N
XLogP4.33
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.62
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 115813288
1-(2-bromo-5-methylphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 114980601
1-(4-bromo-2,6-difluorophenyl)-2-(4-bromo-1,3-dimethylpyrazol-5-yl)ethanone
CID 114982154
1-(5-amino-2-bromophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602790
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethanone
CID 114980678
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanone
CID 105109801
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(5-methylfuran-3-yl)ethanone
CID 114980621
1-(3-bromo-5-fluorophenyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 66424220
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanone
CID 114980588
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602566
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2,4-difluoro-5-methylphenyl)ethanone
CID 114980268
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanone
CID 115778645

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone (CID 114980619) is 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone is CCn1nc(C)c(Cl)c1CC(=O)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone?
The InChIKey is HCIYIFKDPZJZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF2N2O/c1-3-20-11(14(16)7(2)19-20)6-12(21)13-9(17)4-8(15)5-10(13)18/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone?
1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone has a molecular weight of 377.62 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114980619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).