Basic information
- CAS
5069-41-0- Standard SMILES
Cc1ccccc1N1CCN(CCC(=O)c2cnn(-c3ccccc3)c2C)CC1.Cl- InChIKey
ATDZMDNYKDJFRN-UHFFFAOYSA-N- Molecular formula
- C24H29ClN4O
- Average molar mass
- 425 g/mol
- Monoisotopic mass
- 424.2029893
Names & identifiers
- Preferred name
- 1-Propanone, 1-(5-methyl-1-phenylpyrazol-4-yl)-3-(4-o-tolylpiperazin-1-yl)-, hydrochloride
- IUPAC
- 3-[4-(2-methylphenyl)piperazin-1-yl]-1-(5-methyl-1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
Names & synonyms
Go 10021-Propanone, 1-(5-methyl-1-phenylpyrazol-4-yl)-3-(4-o-tolylpiperazin-1-yl)-, hydrochloride5069-41-0DTXSID501987291-(5-Methyl-1-phenylpyrazol-4-yl)-3-(4-o-tolylpiperazin-1-yl)-1-propanone hydrochlorideRefChem:234864DTXCID601212203-[4-(2-Methylphenyl)piperazin-1-yl]-1-(5-methyl-1-phenyl-1H-pyrazol-4-yl)propan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
5069-41-0- PubChem CID
- 199819
- DTXSID
DTXSID50198729
Properties
Computed structural properties
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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