Basic information
- CAS
263762-14-7- Standard SMILES
CC(C)(C)c1cc(C(=O)NN)n(Cc2ccc(F)cc2)n1- InChIKey
OMYGSOKHINHYPX-UHFFFAOYSA-N- Molecular formula
- C15H19FN4O
- Average molar mass
- 290.34 g/mol
- Monoisotopic mass
- 290.1542894
Names & identifiers
- Preferred name
- 3-(tert-butyl)-1-(4-fluorobenzyl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 3-tert-butyl-1-[(4-fluorophenyl)methyl]pyrazole-5-carbohydrazide
- English name
- 3-(tert-Butyl)-1-(4-fluorobenzyl)-1H-pyrazole-5-carbohydrazide
- Molecular formula
- C15H19FN4O
- Molecular weight
- 290.34
Names & synonyms
263762-14-73-(tert-butyl)-1-(4-fluorobenzyl)-1H-pyrazole-5-carbohydrazide5-tert-butyl-2-[(4-fluorophenyl)methyl]pyrazole-3-carbohydrazideMFCD015713071H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-, hydrazideMaybridge1_0087673-tert-Butyl-1-(4-fluorobenzyl)-1H-pyrazole-5-carboxylic acid hydrazideOprea1_000813MLS000833948CHEMBL1415049HMS566G11DTXSID70378465
Show more names
HMS2786K06CCG-254469SMR000461467DB-067621F5512083-tert-Butyl-1-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carbohydrazide3-(1,1-Dimethylethyl)-1-[(4-fluorophenyl)methyl]-1H-pyrazole-5-carboxylic acid hydrazide1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-1-[(4-fluorophenyl)methyl]-, hydrazide
Database identifiers
- CAS
263762-14-7- PubChem CID
- 2773449
- DTXSID
DTXSID70378465
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 363
Experimental & physicochemical properties
Solubility23.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 183 °C · 183 °C
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 12.07 · 12.07±0.10(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
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
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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