(4-Benzylpiperidin-1-yl)-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
기본 정보
- CAS
445259-58-5- 표준 SMILES
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCC(Cc5ccccc5)CC4)cc3n2)cc1C- InChIKey
LJKNBNFJLDNKTN-UHFFFAOYSA-N- 분자식
- C28H27F3N4O
- 평균 분자량
- 492.5 g/mol
이름 및 식별자
- 우선 이름
- (4-Benzylpiperidin-1-yl)-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
- IUPAC
- (4-benzylpiperidin-1-yl)-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
- 영어명
- 2-[(4-benzyl-1-piperidinyl)carbonyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
- 분자식
- C28H27F3N4O
- 분자량
- 492.5353896
이름 및 동의어
(4-benzylpiperidin-1-yl)-[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone(4-benzylpiperidin-1-yl)[5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanoneAK-968/41170143STK333137AKOS0016890164-BENZYL-1-[5-(3,4-DIMETHYLPHENYL)-7-(TRIFLUOROMETHYL)PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBONYL]PIPERIDINEST508306312-[(4-benzyl-1-piperidinyl)carbonyl]-5-(3,4-dimethylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine445259-58-55-(3,4-dimethylphenyl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a]pyrimidin-2-y l) 4-benzylpiperidyl ketone
데이터베이스 식별자
- CAS
445259-58-5
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 50.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 750
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