1-(4-Chlorobenzyl)-3-methyl-1H-pyrazole-5-carbohydrazide
Basic information
- CAS
618070-44-3- Standard SMILES
Cc1cc(C(=O)NN)n(Cc2ccc(Cl)cc2)n1- InChIKey
NVZRRRAETTVZMG-UHFFFAOYSA-N- Molecular formula
- C12H13ClN4O
- Average molar mass
- 264.71 g/mol
- Monoisotopic mass
- 264.0777887
Names & identifiers
- Preferred name
- 1-(4-Chlorobenzyl)-3-methyl-1H-pyrazole-5-carbohydrazide
- IUPAC
- 2-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazide
- English name
- 1-(4-Chlorobenzyl)-3-methyl-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C12H13ClN4O
- Molecular weight
- 264.71
Names & synonyms
1-(4-CHLOROBENZYL)-3-METHYL-1H-PYRAZOLE-5-CARBOHYDRAZIDE1-[(4-Chlorophenyl)methyl]-3-methyl-1H-pyrazole-5-carboxylic acid hydrazide1-((4-Chlorophenyl)methyl)-3-methyl-1H-pyrazole-5-carboxylic acid hydrazideRefChem:425187632-200-4618070-44-32-[(4-chlorophenyl)methyl]-5-methylpyrazole-3-carbohydrazideDTXSID501143654AKOS0244074961-[(4-Chlorophenyl)methyl]-3-methyl-1H-pyrazole-5-carbohydrazideSALOR-INT L201316-1EA1H-Pyrazole-5-carboxylic acid, 1-[(4-chlorophenyl)methyl]-3-methyl-, hydrazide
Database identifiers
- CAS
618070-44-3- PubChem CID
- 5239334
- DTXSID
DTXSID501143654- EC Number
- 632-200-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.10(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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