5-Methyl-2-(4-nitrophenyl)-1H-pyrazol-3(2H)-one
Basic information
- CAS
90946-69-3- Standard SMILES
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1- InChIKey
WBEUYYLNOZBSTA-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 5-Methyl-2-(4-nitrophenyl)-1H-pyrazol-3(2H)-one
- IUPAC
- 5-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one
- English name
- 3-METHYL-1-(4-NITROPHENYL)-1H-PYRAZOL-5-OL
- Molecular formula
- C10H9N3O3
- Molecular weight
- 219.2
Names & synonyms
5-Methyl-2-(4-nitrophenyl)-1H-pyrazol-3(2H)-one3-methyl-1-(4-nitrophenyl)-1H-pyrazol-5-ol90946-69-335496-23-25-methyl-2-(4-nitrophenyl)-1H-pyrazol-3-one5-methyl-2-(4-nitrophenyl)-1,2-dihydro-3H-pyrazol-3-oneMFCD00454846MFCD00070620Maybridge1_001934CBMicro_047916Oprea1_348694MLS000713822
Show more names
AKOS B028843SALOR-INT L202193-1EA3-methyl-1-(p-nitrophenyl)-1H-pyrazol-5-ol5- hydroxy-3-methyl-1-(4-nitrophenyl)-1H-pyrazole
SCHEMBL2435022SCHEMBL11449832HMS546P20BBL002173BTB 09186SBB035803STK043977STK398267
Database identifiers
- CAS
90946-69-3- PubChem CID
- 721996
- EC Number
- 125-991-8
- Nikkaji
- J3.172.066D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 340
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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