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

C14H12BrClF2N2O — CID 107538202

IUPAC1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2ccc(F)c(F)c2Br)c1Cl
InChIInChI=1S/C14H12BrClF2N2O/c1-3-9-13(16)10(20(2)19-9)6-11(21)7-4-5-8(17)14(18)12(7)15/h4-5H,3,6H2,1-2H3
InChIKeyCGHVWBFCNDGSDD-UHFFFAOYSA-N
MW377.62 g/mol
LogP4.10
Rot. Bonds4

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

1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 107538202) has the molecular formula C14H12BrClF2N2O and a molecular weight of 377.62 g/mol. Its IUPAC name is 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID107538202
Molecular FormulaC14H12BrClF2N2O
Molecular Weight377.62 g/mol
Exact Mass375.98
IUPAC Name1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1nn(C)c(CC(=O)c2ccc(F)c(F)c2Br)c1Cl
InChIInChI=1S/C14H12BrClF2N2O/c1-3-9-13(16)10(20(2)19-9)6-11(21)7-4-5-8(17)14(18)12(7)15/h4-5H,3,6H2,1-2H3
InChIKeyCGHVWBFCNDGSDD-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dibromophenyl)ethanone
CID 107944570
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114980376
1-(2-amino-4-bromophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 116591953
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977887
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromo-3-fluorophenyl)ethanone
CID 114977949
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 107967652
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 114894290
1-(2-bromo-3,4-difluorophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanone
CID 107538217
1-(3-bromo-2-chlorophenyl)-2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 114978090
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(3,4-difluorophenyl)propan-2-one
CID 114980514
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(2,3-difluorophenyl)ethanone
CID 115778565

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 107538202) is 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1nn(C)c(CC(=O)c2ccc(F)c(F)c2Br)c1Cl.
What is the InChIKey of 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is CGHVWBFCNDGSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF2N2O/c1-3-9-13(16)10(20(2)19-9)6-11(21)7-4-5-8(17)14(18)12(7)15/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone?
1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 377.62 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,4-difluorophenyl)-2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 107538202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).