2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one

C10H9BrN4O — CID 71341725

IUPAC2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(/N=N/c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C10H9BrN4O/c1-7-6-10(16)15(13-7)14-12-9-4-2-8(11)3-5-9/h2-6,13H,1H3/b14-12+
InChIKeyDQPWIEINITVBOL-WYMLVPIESA-N
MW281.11 g/mol
LogP2.79
Rot. Bonds2

About 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one

2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one (PubChem CID 71341725) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one
PubChem CID71341725
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(=O)n(/N=N/c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C10H9BrN4O/c1-7-6-10(16)15(13-7)14-12-9-4-2-8(11)3-5-9/h2-6,13H,1H3/b14-12+
InChIKeyDQPWIEINITVBOL-WYMLVPIESA-N
XLogP2.79
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-Bromophenyl)azo-5-keto-3-methyl-2-pyrazoline-1-carbothioamide
CID 3349004
4-Phenylhydrazono-3-methyl-2-pyrazolin-5-one
CID 318025
N-(4-Bromophenyl)propanehydrazonic acid
CID 769159
1-[(4-bromophenyl)amino]-1H-pyrrole-2,5-dione
CID 781246
5-[(4-bromo-N-methylanilino)methyl]-1,2-dihydropyrazol-3-one
CID 71601103
4-[2-(4-Bromo-3-chlorophenyl)hydrazinyl]-5-methylpyrazol-3-one
CID 681349
Isovaleric acid, 2-(p-bromophenyl)hydrazide
CID 53021
N'-(4-bromophenyl)-2,2,2-trifluoroacetohydrazide
CID 817878
Acetic acid 2-(4-bromophenyl)hydrazide
CID 615522
2-(4-bromophenyl)-5-methyl-1H-pyrazol-3-one
CID 890305
N-(4-Bromophenyl)butanehydrazonic acid
CID 53020
N-(4-Bromophenyl)pentanehydrazonic acid
CID 3057959

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one (CID 71341725) is 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one is Cc1cc(=O)n(/N=N/c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is DQPWIEINITVBOL-WYMLVPIESA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-7-6-10(16)15(13-7)14-12-9-4-2-8(11)3-5-9/h2-6,13H,1H3/b14-12+.
What are the key properties of 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one?
2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 281.11 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)diazenyl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 71341725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).