1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
Basic information
- CAS
496931-73-8- Standard SMILES
Cc1nn(C(C)(C)C)c(N)c1-c1ccccc1- InChIKey
DOXLNMCPYVRQBU-UHFFFAOYSA-N- Molecular formula
- C14H19N3
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.15789762
Names & identifiers
- Preferred name
- 1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
- IUPAC
- 1-tert-butyl-3-methyl-4-phenylpyrazol-5-amine
Names & synonyms
496931-73-81-Tert-butyl-3-methyl-4-phenyl-1h-pyrazol-5-amineRefChem:436740837-709-72-tert-butyl-5-methyl-4-phenylpyrazol-3-amine1-tert-butyl-3-methyl-4-phenyl-1H-pyrazol-5-ylamineOprea1_369220MLS0006986841-(tert-Butyl)-3-methyl-4-phenyl-1H-pyrazol-5-amineCHEMBL1598149HMS2573C23AKOS015776489
Show more names
SMR000225841CS-0259505G471512-tert-butyl-5-methyl-4-phenyl-pyrazol-3-amineEN300-7353660AG-205/40776370SR-01000534707SR-01000534707-1
Database identifiers
- CAS
496931-73-8- PubChem CID
- 778073
- ChEMBL
CHEMBL1598149- EC Number
- 837-709-7
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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