4-[(E)-(4-Methoxyphenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
Basic information
- CAS
76149-54-7- Standard SMILES
COc1ccc(N=NC2C(=O)N(C(=O)c3ccncc3)N=C2C)cc1- InChIKey
USMQMOHXACCYKA-UHFFFAOYSA-N- Molecular formula
- C17H15N5O3
- Average molar mass
- 337.33 g/mol
- Monoisotopic mass
- 337.11748936
Names & identifiers
- Preferred name
- 4-[(E)-(4-Methoxyphenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[(4-methoxyphenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
Names & synonyms
NSC30376676149-54-7DTXSID30316484NSC-3037664-[(E)-(4-Methoxyphenyl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-oneDS-0145562-Isonicotinoyl-4-[(E)-(4-methoxyphenyl)diazenyl]-5-methyl-2,4-dihydro-3H-pyrazol-3-one4-(4-methoxyphenyl)diazenyl-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one4-[(E)-(4-methoxyphenyl)azo]-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
Database identifiers
- CAS
76149-54-7- PubChem CID
- 327700
- DTXSID
DTXSID30316484
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 563
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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