Basic information
- CAS
13051-11-1- Standard SMILES
CC1C(=O)NN=C1c1ccc([N+](=O)[O-])cc1- InChIKey
SDGQWCKSYIINAU-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 4-Methyl-3-(4-nitrophenyl)-1,4-dihydropyrazol-5-one
- IUPAC
- 4-methyl-3-(4-nitrophenyl)-1,4-dihydropyrazol-5-one
Names & synonyms
13051-11-1MLS0027041934-Methyl-3-(4-nitrophenyl)-1H-pyrazol-5(4H)-one3H-Pyrazol-3-one, 2,4-dihydro-4-methyl-5-(4-nitrophenyl)-4-methyl-3-(4-nitrophenyl)-1,4-dihydropyrazol-5-oneNSC1099014-methyl-5-(4-nitrophenyl)-2,4-dihydro-3h-pyrazol-3-oneCHEMBL3188605DTXSID302965553H-Pyrazol-3-one,2,4-dihydro-4-methyl-5-(4-nitrophenyl)-NSC-109901SMR001570899
Show more names
DS-014229BRD-A84536420-001-04-3
Database identifiers
- CAS
13051-11-1- PubChem CID
- 269248
- DTXSID
DTXSID30296555- ChEMBL
CHEMBL3188605
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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