N-(2-(4-methoxyphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
Basic information
- CAS
392253-23-5- Standard SMILES
COc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)cc1- InChIKey
SIVOZAHMIKAPRY-UHFFFAOYSA-N- Molecular formula
- C16H19N3O2S
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.11979803
Names & identifiers
- Preferred name
- N-(2-(4-methoxyphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramide
- IUPAC
- N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
Names & synonyms
392253-23-5N-(2-(4-methoxyphenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)isobutyramideN-[2-(4-methoxyphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]-2-methylpropanamideN-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-methylpropanamideOprea1_438677MLS000879203F0396-0041CHEMBL1299675DTXSID401320960HMS2962C15AKOS024576257SMR000640750
Show more names
SR-01000442621SR-01000442621-1N-[2-(4-Methoxyphenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-methylpropanamide
Database identifiers
- CAS
392253-23-5- PubChem CID
- 4452492
- DTXSID
DTXSID401320960- ChEMBL
CHEMBL1299675
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 399
Experimental & physicochemical properties
Solubility41 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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