2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one hydrochloride
Basic information
- CAS
59994-27-3- Standard SMILES
CC1=NN(c2ccc(N)cc2)C(=O)C1.Cl- InChIKey
HUVTUSZGKJGSDV-UHFFFAOYSA-N- Molecular formula
- C10H12ClN3O
- Average molar mass
- 225.67 g/mol
- Monoisotopic mass
- 225.0668897
Names & identifiers
- Preferred name
- 2-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one hydrochloride
- IUPAC
- 2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one;hydrochloride
- English name
- 2-(4-aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one monohydrochloride
- Molecular formula
- C10H12ClN3O
- Molecular weight
- 225.67478
Names & synonyms
59994-27-32-(4-AMINOPHENYL)-5-METHYL-2,4-DIHYDRO-3H-PYRAZOL-3-ONE HYDROCHLORIDE1-(4-Aminophenyl)-3-methyl-1H-pyrazol-5(4H)-one hydrochloride2-(4-Aminophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one monohydrochloride2-(4-aminophenyl)-5-methyl-4H-pyrazol-3-one;hydrochlorideEINECS 262-016-6MLS0005289702-(4-Aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one--hydrogen chloride (1/1)JQ5PAZ7KNQCHEMBL1606736DTXSID70208697HUVTUSZGKJGSDV-UHFFFAOYSA-N
Show more names
AKOS015848152SMR000121445CS-0364564NS000879121-(4-Aminophenyl)-3-methyl-1H-pyrazol-5(4H)-onehydrochloride3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, hydrochloride3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, hydrochloride (1:1)3H-Pyrazol-3-one, 2-(4-aminophenyl)-2,4-dihydro-5-methyl-, monohydrochloride
Database identifiers
- CAS
59994-27-3- PubChem CID
- 3017166
- DTXSID
DTXSID70208697- ChEMBL
CHEMBL1606736- UNII
- JQ5PAZ7KNQ
- EC Number
- 262-016-6
Properties
Computed structural properties
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 267
Physicochemical properties
- Melting point
- 274 °C · 274 °C
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Compound notes
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