4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one

C11H12BrN3O — CID 103995200

IUPAC4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2ccc(Br)cc2)c(=O)c1N
InChIInChI=1S/C11H12BrN3O/c1-2-9-10(13)11(16)15(14-9)8-5-3-7(12)4-6-8/h3-6,14H,2,13H2,1H3
InChIKeyLNDJNQUVMYDPIT-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.07
Rot. Bonds2

About 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one

4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one (PubChem CID 103995200) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
PubChem CID103995200
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2ccc(Br)cc2)c(=O)c1N
InChIInChI=1S/C11H12BrN3O/c1-2-9-10(13)11(16)15(14-9)8-5-3-7(12)4-6-8/h3-6,14H,2,13H2,1H3
InChIKeyLNDJNQUVMYDPIT-UHFFFAOYSA-N
XLogP2.07
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(4-bromophenyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 113363176
4-amino-2-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995030
4-amino-5-ethyl-2-(3,4,5-trifluorophenyl)-1H-pyrazol-3-one
CID 113363214
4-amino-2-(2-chlorophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995000
2-(4-bromophenyl)-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66023358
5-ethyl-4-(hydroxymethyl)-2-(4-methoxyphenyl)-1H-pyrazol-3-one
CID 117124091
4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995179
4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one
CID 117123879
3-[5-ethyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid
CID 117124325
4-amino-2-(3-fluorophenyl)-5-(methoxymethyl)-1H-pyrazol-3-one
CID 103995167
4-amino-5-cyclopentyl-2-(4-ethoxyphenyl)-1H-pyrazol-3-one
CID 107958698
2-(4-bromophenyl)-5-ethyl-4-methyl-4H-pyrazol-3-one
CID 63561461

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one (CID 103995200) is 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one is CCc1[nH]n(-c2ccc(Br)cc2)c(=O)c1N.
What is the InChIKey of 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one?
The InChIKey is LNDJNQUVMYDPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-2-9-10(13)11(16)15(14-9)8-5-3-7(12)4-6-8/h3-6,14H,2,13H2,1H3.
What are the key properties of 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one?
4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one has a molecular weight of 282.14 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one is sourced from PubChem (CID 103995200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).