Basic information
- CAS
733795-38-5- Standard SMILES
CC1=NN(c2cc(C)ccc2C)C(=O)C1- InChIKey
HYJKWZAGPAFYIP-UHFFFAOYSA-N- Molecular formula
- C12H14N2O
- Average molar mass
- 202.25 g/mol
- Monoisotopic mass
- 202.11061307
Names & identifiers
- Preferred name
- 1-(2,5-dimethylphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
- IUPAC
- 2-(2,5-dimethylphenyl)-5-methyl-4H-pyrazol-3-one
- English name
- 1-(2,5-dimethylphenyl)-3-methyl-1H-pyrazol-5(4H)-one
- Molecular formula
- C12H14N2O
- Molecular weight
- 202.25
Names & synonyms
1-(2,5-dimethylphenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one733795-38-52-(2,5-dimethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-oneCHEMBL37409792-(2,5-dimethylphenyl)-5-methyl-4H-pyrazol-3-oneSCHEMBL17059013SCHEMBL30271510IEB79538BDBM50135201AKOS008957056CS-0220944EN300-07939
Show more names
1-(2,5-dimethylphenyl)-3-methyl-1H-pyrazol-5(4H)-one3H-Pyrazol-3-one, 2-(2,5-dimethylphenyl)-2,4-dihydro-5-methyl-
G36004SR-01000049438SR-01000049438-1Z50147461
Database identifiers
- CAS
733795-38-5- PubChem CID
- 3589846
- ChEMBL
CHEMBL3740979- EC Number
- 193-276-8
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 372.7 · 372.7±31.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 2.62 · 2.62±0.50(Predicted)
Chemistry & industry
Suppliers1 total
南京政琦科技有限公司19853943728 19853943728 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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