Basic information
- CAS
285984-47-6- Standard SMILES
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Oc2ccccc2)cc1- InChIKey
SILADEPIWJTLTA-UHFFFAOYSA-N- Molecular formula
- C21H23N3O2
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- phenyl (3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)carbamate
- IUPAC
- phenyl N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamate
- English name
- phenyl (3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)carbaMate
- Molecular formula
- C21H23N3O2
- Molecular weight
- 349.43
Names & synonyms
285984-47-6phenyl (3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)carbamatePhenyl [3-tert-butyl-1-(p-tolyl)pyrazol-5-yl]carbamatephenyl N-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamateMFCD27997596Carbamic acid, N-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]-, phenyl esterSCHEMBL378957SILADEPIWJTLTA-UHFFFAOYSA-NDA-42904CS-0450613G15713Phenyl 3-tert-butyl-1-p-tolyl-1H-pyrazol-5-ylcarbamate
Show more names
Phenyl[3-tert-butyl-1-(p-tolyl)pyrazol-5-yl]carbamatephenyl N-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]carbamate(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-carbamic acid phenyl ester
Database identifiers
- CAS
285984-47-6- PubChem CID
- 11057211
- EC Number
- 879-741-4
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 463.2 · 463.2±45.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 12.26 · 12.26±0.70(Predicted)
Chemistry & industry
Suppliers6 total
上海拓目化工有限公司13391076197 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
31 records
Compound notes
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