3H-Pyrazol-3-one, 2-(3-aminophenyl)-2,4-dihydro-5-methyl-
Basic information
- CAS
90-32-4- Standard SMILES
CC1=NN(c2cccc(N)c2)C(=O)C1- InChIKey
LCYJOUXSUHOSCW-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2-(3-aminophenyl)-2,4-dihydro-5-methyl-
- IUPAC
- 2-(3-aminophenyl)-5-methyl-4H-pyrazol-3-one
- English name
- 2-(3-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one
- Molecular formula
- C10H11N3O
- Molecular weight
- 189.21
Names & synonyms
1-(3-Aminophenyl)-3-methyl-1H-pyrazol-5(4H)-one3H-Pyrazol-3-one, 2-(3-aminophenyl)-2,4-dihydro-5-methyl-2-(3-aminophenyl)-5-methyl-4H-pyrazol-3-oneZ8G49MH2AF2-(3-Amino-phenyl)-5-methyl-2,4-dihydro-pyrazol-3-one2-(3-Aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-oneEINECS 201-985-11-(3-aminophenyl)-3-methyl-5-pyrazoloneDTXSID8059007NSC-264301-(3'-aminophenyl)-3-methyl-5-pyrazolone1-M-AMINOPHENYL-3-METHYL-5-PYRAZOLONE
Show more names
1-(3-Aminophenyl)-3-methyl-5(4H)-pyrazolone2-(3-azanylphenyl)-5-methyl-4H-pyrazol-3-one2-(3-aminophenyl)-5-methyl-2,4-dihydro-3-pyrazo‐ lone2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one(SALTDATA: HCl)
1-(M-AMINOPHENYL)-3-METHYLPYRAZOLIN-5-ONE2-PYRAZOLIN-5-ONE, 1-(M-AMINOPHENYL)-3-METHYL-RefChem:95822DTXCID504868990-32-41-(3-aminophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-oneMFCD00043813
Database identifiers
- CAS
90-32-4- PubChem CID
- 66657
- DTXSID
DTXSID8059007- UNII
- Z8G49MH2AF
- EC Number
- 201-985-1
- Nikkaji
- J37.345A
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 435.1 · 435.1±28.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.14 · 4.14±0.10(Predicted)
- FDA UNII
- 8 G49MH2AF · Z8G49MH2AF
- EPA Substance Registry System
- 3 H-Pyrazol-3-one, · 3H-Pyrazol-3-one, 2-(3-aminophenyl)-2,4-dihydro-5-methyl- (90-32-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Pyrazol-3-one, 2-(3-aminophenyl)-2,4-dihydro-5-methyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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