3-methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5-ol
Basic information
- CAS
132-42-3- Standard SMILES
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1[N+](=O)[O-]- InChIKey
JROWKMSMOKJXDW-UHFFFAOYSA-N- Molecular formula
- C10H8N4O5
- Average molar mass
- 264.19 g/mol
- Monoisotopic mass
- 264.04946937
Names & identifiers
- Preferred name
- 3-methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5-ol
- IUPAC
- 5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one
- English name
- 5-Methyl-4-nitro-2-(4-nitro-phenyl)-2H-pyrazol-3-ol
- Molecular formula
- C10H8N4O5
- Molecular weight
- 264.19
Names & synonyms
132-42-33-methyl-4-nitro-1-(4-nitrophenyl)-1H-pyrazol-5-ol5-methyl-4-nitro-2-(4-nitrophenyl)-1H-pyrazol-3-one5-Methyl-4-nitro-2-(4-nitro-phenyl)-2H-pyrazol-3-ol5-methyl-4-nitro-2-(4-nitrophenyl)-1,2-dihydro-3h-pyrazol-3-one46972-76-33-methyl-4-nitro-1-(4-nitrophenyl)pyrazol-5-olPICROLONIC ACID [MI]orb3180625SCHEMBL9237692DTXSID10276133TPL0411
Show more names
Compound PHAR0080481H-Pyrazol-5-ol, 3-methyl-4-nitro-1-(4-nitrophenyl)-
DTXSID801034070SBB057528STK662402TYD-01055AKOS000116747AKOS025116950HY-W127746CS-0185937
Database identifiers
- CAS
132-42-3、46972-76-3、550-74-3- PubChem CID
- 113406
- DTXSID
DTXSID801034070- UNII
- AW40R29U5B
- Nikkaji
- J1.428.466D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Boiling point
- 439.6 · 439.6±45.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 3.88 · 3.88±0.50(Predicted)
- FDA UNII
- 40 R29U5B · AW40R29U5B
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…