4-Bromo-3,5-dimethyl-1H-pyrazole-1-propanoic acid hydrazide
Basic information
- CAS
512809-18-6- Standard SMILES
Cc1nn(CCC(=O)NN)c(C)c1Br- InChIKey
AUVRVCHPAVPNPM-UHFFFAOYSA-N- Molecular formula
- C8H13BrN4O
- Average molar mass
- 261.12 g/mol
- Monoisotopic mass
- 260.02727
Names & identifiers
- Preferred name
- 4-Bromo-3,5-dimethyl-1H-pyrazole-1-propanoic acid hydrazide
- IUPAC
- 3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazide
- English name
- 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanohydrazide
- Molecular formula
- C8H13BrN4O
- Molecular weight
- 261.12
Names & synonyms
512809-18-64-Bromo-3,5-dimethyl-1H-pyrazole-1-propanoic acid hydrazideRefChem:2908083-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanehydrazide3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanohydrazide3-(4-bromo-3,5-dimethylpyrazolyl)propanohydrazide3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanehydrazideMFCD03419667DTXSID101188563SBB020475STK301553AKOS000308346
Show more names
1H-Pyrazole-1-propanoic acid, 4-bromo-3,5-dimethyl-, hydrazide
CS-0282516ST45061245EN300-228402AK-968/419225243-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanehydrazide
Database identifiers
- CAS
512809-18-6- PubChem CID
- 843271
- DTXSID
DTXSID101188563
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 214
Physicochemical properties
- Boiling point
- 450.6 · 450.6±45.0 °C(Predicted)
- Density
- 1.65 · 1.65±0.1 g/cm3(Predicted)
- pka
- 12.82 · 12.82±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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