Completing data — usually done within a minute
Basic information
- CAS
648917-71-9- Standard SMILES
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])c(C)c2)[nH]1- InChIKey
NJZCFLGTAFUZPO-UHFFFAOYSA-N- Molecular formula
- C11H11N3O3
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.08004121
Names & identifiers
- Preferred name
- 5-Methyl-2-(3-methyl-4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-methyl-2-(3-methyl-4-nitrophenyl)-1H-pyrazol-3-one
Names & synonyms
648917-71-95-Methyl-2-(3-methyl-4-nitrophenyl)-1H-pyrazol-3(2H)-oneSCHEMBL4399573DTXSID70619406NJZCFLGTAFUZPO-UHFFFAOYSA-N5-Methyl-2-(3-methyl-4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-one5-methyl-2-(3-methyl-4-nitrophenyl)-1,2-dihydropyrazol-3-one
Database identifiers
- CAS
648917-71-9- PubChem CID
- 21883894
- DTXSID
DTXSID70619406
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 375
Related reactions
3 records
Compound notes
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