(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone

C12H9Br2ClN2O — CID 107996691

IUPAC(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H9Br2ClN2O/c1-2-17-11(10(14)6-16-17)12(18)8-4-3-7(15)5-9(8)13/h3-6H,2H2,1H3
InChIKeyJXOSJOSGFMMVQA-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.31
Rot. Bonds3

About (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone

(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone (PubChem CID 107996691) has the molecular formula C12H9Br2ClN2O and a molecular weight of 392.48 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
PubChem CID107996691
Molecular FormulaC12H9Br2ClN2O
Molecular Weight392.48 g/mol
Exact Mass389.88
IUPAC Name(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
SMILESCCn1ncc(Br)c1C(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C12H9Br2ClN2O/c1-2-17-11(10(14)6-16-17)12(18)8-4-3-7(15)5-9(8)13/h3-6H,2H2,1H3
InChIKeyJXOSJOSGFMMVQA-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(4-bromo-1-propylpyrazol-5-yl)-(2,4-dichlorophenyl)methanone
CID 115804491
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107996709
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
(3-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 114642070
(4-bromo-1-ethylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanone
CID 114641961
(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methanone
CID 115803584
(4-bromo-2-chlorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanone
CID 115804548
(4-bromo-1-ethylpyrazol-5-yl)-(3-bromophenyl)methanone
CID 114639062
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(4-chlorophenoxy)ethanone
CID 105130160

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone (CID 107996691) is (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone is CCn1ncc(Br)c1C(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone?
The InChIKey is JXOSJOSGFMMVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2ClN2O/c1-2-17-11(10(14)6-16-17)12(18)8-4-3-7(15)5-9(8)13/h3-6H,2H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone?
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone has a molecular weight of 392.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone is sourced from PubChem (CID 107996691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).