Basic information
- CAS
331839-01-1- Standard SMILES
Cc1ccccc1NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1- InChIKey
KBKSZPSRIFRQJL-UHFFFAOYSA-N- Molecular formula
- C20H17N3OS
- Average molar mass
- 347.4 g/mol
- Monoisotopic mass
- 347.10923335
Names & identifiers
- Preferred name
- 3-methyl-N-(2-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
- IUPAC
- 3-methyl-N-(2-methylphenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
- English name
- 3-methyl-N-(2-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide
- Molecular formula
- C20H17N3OS
- Molecular weight
- 347.43
Names & synonyms
3-methyl-N-(2-methylphenyl)-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide3-METHYL-N-(2-METHYLPHENYL)-1-PHENYL-1H-THIENO(2,3-C)PYRAZOLE-5-CARBOXAMIDEOprea1_201706STK3748563-methyl-N-(2-methylphenyl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamideAKOS001615219AG-690/37054017SR-01000456657SR-01000456657-1Z277933923-methyl-1-phenyl-N-(o-tolyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide1H-Thieno[2,3-c]pyrazole-5-carboxamide, 3-methyl-N-(2-methylphenyl)-1-phenyl-
Database identifiers
- CAS
331839-01-1- PubChem CID
- 708258
- EC Number
- 134-217-8
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
Physicochemical properties
- Boiling point
- 413 · 413.0±45.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 12.39 · 12.39±0.70(Predicted)
Chemistry & industry
Suppliers3 total
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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