1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole
1-adamantyl-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone
Also Known As: ChemDiv3_001444|Oprea1_083638|Oprea1_315287|KST-1B4948|BAS 00502425|IDI1_020410|1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole|AE-641/10449060|AG-690/12765828|1-adamantyl-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone|SR-01000443867-1|adamantanyl 3,5-dimethyl-4-phenylthiopyrazolyl ketone|BRD-K49403577-001-02-3|Adamantan-1-yl-(3,5-dimethyl-4-phenylsulfanyl-pyrazol-1-yl)-methanone|1-(1-ADAMANTYLCARBONYL)-3,5-DIMETHYL-4-(PHENYLTHIO)-1H-PYRAZOLE|1-(1-adamantylcarbonyl)-3,5-dimethyl-1H-pyrazol-4-yl phenyl sulfide|1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole #|Methanesulfonamide,N-[3-[2-[(1-methyl-2-phenoxyethyl)(phenylmethyl)amino]acetyl]phenyl]-,hydrochloride (1:1)|(Adamantan-1-yl)[3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazol-1-yl]methanone|1-(ADAMANTANE-1-CARBONYL)-3,5-DIMETHYL-4-(PHENYLSULFANYL)-1H-PYRAZOLE
| Molecular Formula | C22H26N2OS |
|---|---|
| Molecular Weight | 366.17657 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.17657 |
| Monoisotopic Mass | 366.17657 |
| Heavy Atoms | 26 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 5334-53-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C23CC4CC(C2)CC(C4)C3)C)SC5=CC=CC=C5 |
| InChIKey | UMFNPXYRPNKXAQ-UHFFFAOYSA-N |
Product Overview
1-(1-Adamantylcarbonyl)-3,5-dimethyl-4-(phenylsulfanyl)-1H-pyrazole (CAS 5334-53-2), with molecular formula C22H26N2OS and molecular weight 366.17657 g/mol. IUPAC: 1-adamantyl-(3,5-dimethyl-4-phenylsulfanylpyrazol-1-yl)methanone.