3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
Basic information
- CAS
361171-58-6- Standard SMILES
CNC(=S)N1N=C(c2ccc(C)cc2)CC1c1ccc(N(C)C)cc1- InChIKey
DRGNTWYQJADYTL-UHFFFAOYSA-N- Molecular formula
- C20H24N4S
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.17216796
Overview
3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide is a dialkylarylamine and a tertiary amino compound.
Names & identifiers
- Preferred name
- 3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
- IUPAC
- 3-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamide
Names & synonyms
361171-58-63-[4-(dimethylamino)phenyl]-N-methyl-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carbothioamideMLS0006789915-[4-(dimethylamino)phenyl]-N-methyl-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamideSMR000323388SR-01000444981CHEMBL1465436CHEBI:119771DTXSID801333567HMS2714C16AKOS008030838SR-01000444981-1
Show more names
SR-01000444981-3Q27207233Z57380542F0769-00165-(4-(dimethylamino)phenyl)-N-methyl-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Database identifiers
- CAS
361171-58-6- PubChem CID
- 5087076
- DTXSID
DTXSID801333567- ChEMBL
CHEMBL1465436- ChEBI
CHEBI:119771
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 488
Experimental & physicochemical properties
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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