5-methyl-4-nitro-1H-pyrazole-3-carboxamide
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Basic information
- CAS
1228362-74-0- Standard SMILES
Cc1[nH]nc(C(N)=O)c1[N+](=O)[O-]- InChIKey
MWTOSFMGNUDEHY-UHFFFAOYSA-N- Molecular formula
- C5H6N4O3
- Average molar mass
- 170.13 g/mol
- Monoisotopic mass
- 170.04399007
Names & identifiers
- Preferred name
- 5-methyl-4-nitro-1H-pyrazole-3-carboxamide
- IUPAC
- 5-methyl-4-nitro-1H-pyrazole-3-carboxamide
- English name
- 5-METHYL-4-NITRO-1H-PYRAZOLE-3-CARBOXAMIDE
- Molecular formula
- C5H6N4O3
- Molecular weight
- 170.13
Names & synonyms
5-methyl-4-nitro-1H-pyrazole-3-carboxamide5334-36-13-methyl-4-nitro-1H-pyrazole-5-carboxamide1228362-74-05-METHYL-4-NITRO-2H-PYRAZOLE-3-CARBOXYLIC ACID AMIDEMFCD118457215-methyl-4-nitro-2h-pyrazole-3-carboxamide3-methyl-4-nitropyrazole-5-carboxamideNSC14075-Methyl-4-nitro-1H-pyrazole-3-carboxylic acid amideSCHEMBL4038271DTXSID70277267
Show more names
1H-Pyrazole-3-carboxamide, 5-methyl-4-nitro-
MWTOSFMGNUDEHY-UHFFFAOYSA-NFAA33436NSC-1407SBB088363AKOS000281176AS-5829CS-0360822EN300-87264
Database identifiers
- CAS
1228362-74-0、5334-36-1- PubChem CID
- 219738
- DTXSID
DTXSID70277267
Properties
Computed structural propertiesFilling in
- XLogP
- -0.3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
LogP-0.38
Physicochemical properties
- Melting point
- 248 · 248-250 °C(Solvent: Water)
- Boiling point
- 371.242 · 371.242±42.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.578 · 1.578±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.1 · 8.100±0.10(predicted)
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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