5-Amino-1-tert-butyl-3-(4-methylphenyl)-4-cyanopyrazole
Completing data — refresh the page later to see the latest
Basic information
- CAS
186896-24-2- Standard SMILES
Cc1ccc(-c2nn(C(C)(C)C)c(N)c2C#N)cc1- InChIKey
FDNROCKESXLTQY-UHFFFAOYSA-N- Molecular formula
- C15H18N4
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.15314659
Names & identifiers
- Preferred name
- 5-Amino-1-tert-butyl-3-(4-methylphenyl)-4-cyanopyrazole
- IUPAC
- 5-amino-1-tert-butyl-3-(4-methylphenyl)pyrazole-4-carbonitrile
- English name
- 5-Amino-1-tert-butyl-3-(4-methylphenyl)-4-cyanopyrazole
- Molecular formula
- C15H18N4
- Molecular weight
- 254.33
Names & synonyms
186896-24-25-Amino-1-(tert-butyl)-3-(4-methylphenyl)-1H-pyrazole-4-carbonitrile5-Amino-1-tert-butyl-3-(4-methylphenyl)-4-cyanopyrazole5-Amino-1-(tert-butyl)-3-(p-tolyl)-1H-pyrazole-4-carbonitrile5-amino-1-tert-butyl-3-(4-methylphenyl)pyrazole-4-carbonitrileMFCD062009275-Amino-1-tert-butyl-3-(4-methylphenyl)-1H-pyrazole-4-carbonitrile3-Fluoro Methamphetamine-d3 Hydrochloride3-Fluoro-N,a-dimethylbenzeneethanamine-d3 Hydrochloride;ZINC03883463SCHEMBL8308145DTXSID90376948
Show more names
Sunitinib Impurity 795-Amino-1-(1,1-dimethylethyl)-3-(4-methylphenyl)-1H-pyrazole-4-carbonitrile1H-Pyrazole-4-carbonitrile, 5-amino-1-(1,1-dimethylethyl)-3-(4-methylphenyl)-5-Amino-1-(tert-butyl)-4-cyano-3-(4-methylphenyl)-1H-pyrazole, 4-[5-Amino-1-(tert-butyl)-4-cyano-1H-pyrazol-3-yl]toluene
SBB101439AKOS00506955312L-333SDB-295968CS-03284435-amino-1-(tert-butyl)-3-(4-methylphenyl)pyrazole-4-carbonitrile5-Amino-3-(4-methylphenyl)-1-(2-methyl-2-propanyl)-1H-pyrazole-4-carbonitrile
Database identifiers
- CAS
186896-24-2- PubChem CID
- 2763418
- DTXSID
DTXSID90376948
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Melting point
- 160 · 160-162oC
- Boiling point
- 461.2 · 461.2±45.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 0.22 · 0.22±0.10(Predicted)
- form
- Solid
- color
- Off-White to Pale Yellow
- 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
Applications
UsesA selective tyrosine kinase inhibitor
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…