5-Amino-2,4-dihydro-4-(2-phenyldiazenyl)-3H-pyrazol-3-one
Basic information
- CAS
19197-14-9- Standard SMILES
NC1=NNC(=O)C1N=Nc1ccccc1- InChIKey
KARWINWPVZJLQK-UHFFFAOYSA-N- Molecular formula
- C9H9N5O
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.08070993
Names & identifiers
- Preferred name
- 5-Amino-2,4-dihydro-4-(2-phenyldiazenyl)-3H-pyrazol-3-one
- IUPAC
- 3-amino-4-phenyldiazenyl-1,4-dihydropyrazol-5-one
- English name
- 5-amino-2,4-dihydro-4-(phenylazo)-3H-pyrazol-3-one
- Molecular formula
- C9H9N5O
- Molecular weight
- 203.2
Names & synonyms
19197-14-95-Amino-2,4-dihydro-4-(2-phenyldiazenyl)-3H-pyrazol-3-oneRefChem:3009315-Amino-2,4-dihydro-4-(phenylazo)-3H-pyrazol-3-oneAI3-611863-amino-4-phenyldiazenyl-1,4-dihydropyrazol-5-oneEINECS 242-869-0SCHEMBL6980273SCHEMBL6980274KARWINWPVZJLQK-UHFFFAOYSA-NDTXSID801197717NS00047619
Show more names
3-Amino-4-(phenylazo)-1H-pyrazole-5(4H)-one
5-amino-4-phenylazo-2,4-dihydropyrazol-3-one3H-Pyrazol-3-one, 5-amino-2,4-dihydro-4-(phenylazo)-5-Amino-4-(phenyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one
Database identifiers
- CAS
19197-14-9- PubChem CID
- 86835
- DTXSID
DTXSID801197717- EC Number
- 242-869-0
- Nikkaji
- J224.877H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Density
- 1.523 · 1.523±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.155 · 11.155±0.60(predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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