3-(tert-Butyl)-1-(4-chlorophenyl)-1H-pyrazol-5-amine
Completing data — refresh the page later to see the latest
Basic information
- CAS
478016-00-1- Standard SMILES
CC(C)(C)c1cc(N)n(-c2ccc(Cl)cc2)n1- InChIKey
CGBTZABQTSWFJF-UHFFFAOYSA-N- Molecular formula
- C13H16ClN3
- Average molar mass
- 249.74 g/mol
- Monoisotopic mass
- 249.1032752
Names & identifiers
- Preferred name
- 3-(tert-Butyl)-1-(4-chlorophenyl)-1H-pyrazol-5-amine
- IUPAC
- 3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-amine
- English name
- 5-tert-Butyl-2-(4-chloro-phenyl)-2H-pyrazol-3-ylamine
- Molecular formula
- C13H16ClN3
- Molecular weight
- 249.74
Names & synonyms
478016-00-13-(tert-Butyl)-1-(4-chlorophenyl)-1H-pyrazol-5-amine5-TERT-BUTYL-2-(4-CHLORO-PHENYL)-2H-PYRAZOL-3-YLAMINE3-TERT-BUTYL-1-(4-CHLOROPHENYL)-1H-PYRAZOL-5-AMINE5-tert-butyl-2-(4-chlorophenyl)pyrazol-3-amineMFCD02091536SCHEMBL10138885-tert-butyl-2-(4-chlorophenyl)-2h-pyrazol-3-ylamineDTXSID20354375CGBTZABQTSWFJF-UHFFFAOYSA-NAKOS005831552AB10711
Show more names
BUTTPARK 30\09-725-tert-butyl-2-(4-chlorophenyl)-3-pyrazolamine3-TERT-BUTYL-1-(4-CHLORO PHENYL)-1H-PYRAZOLE-5-AMINE1H-Pyrazol-5-amine, 1-(4-chlorophenyl)-3-(1,1-dimethylethyl)-JR-13714, 3-Tert-butyl-1-(4-chlorophenyl)-1H-pyrazol-5-amine, 98%
F4568155-tert-Butyl-2-(4-chlorophenyl)-2H-pyrazol-3-amine3-tert-Butyl-1-(4-chlorophenyl)-1H-pyrazol-5-amine, AldrichCPR
Database identifiers
- CAS
478016-00-1- PubChem CID
- 770649
- DTXSID
DTXSID20354375- Nikkaji
- J1.779.124I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- 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
- 256
Physicochemical properties
- Boiling point
- 380.4 · 380.4±37.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 3.69 · 3.69±0.10(Predicted)
- form
- solid
- InChI
- 1S/C13H16ClN3/c1-13(2,3)11-8-12(15)17(16-11)10-6-4-9(14)5-7-10/h4-8H,15H2,1-3H3
- InChIKey
- CGBTZABQTSWFJF-UHFFFAOYSA-N
- SMILES
- CC(C)(C)c1cc(N)n(n1)-c2ccc(Cl)cc2
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
- Hazard Codes
- Xn
- Risk Statements
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
- wgk
- WGK 3
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H303-H320
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
6 records
Compound notes
Loading…