기본 정보
- CAS
489449-16-3- 표준 SMILES
Cc1c(CN(C)C(=O)c2nn3c(c2Cl)NC(c2ccc(Br)cc2)CC3C(F)(F)F)cnn1C- InChIKey
KKQYSDSVHNOOCW-UHFFFAOYSA-N- 분자식
- C21H21BrClF3N6O
- 평균 분자량
- 545.8 g/mol
- 단동위원소 질량
- 544.06008
이름 및 식별자
- 우선 이름
- 5-(4-bromophenyl)-3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 5-(4-bromophenyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 영어명
- 5-(4-bromophenyl)-3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- 분자식
- C21H21BrClF3N6O
- 분자량
- 545.7832496
이름 및 동의어
5-(4-bromophenyl)-3-chloro-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide5-(4-bromophenyl)-3-chloro-N-((1,5-dimethyl-1H-pyrazol-4-yl)methyl)-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/15359301STK959042AKOS003273121489449-16-35-(4-bromophenyl)-3-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
데이터베이스 식별자
- CAS
489449-16-3- PubChem CID
- 5156956
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 68 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 712
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…