2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
기본 정보
- CAS
512824-63-4- 표준 SMILES
CC1=NN(C(=O)Cn2nc(C)c(Br)c2C)C(O)(C(F)(F)F)C1- InChIKey
CQINLJFZKJWGRG-UHFFFAOYSA-N- 분자식
- C12H14BrF3N4O2
- 평균 분자량
- 383.16 g/mol
이름 및 식별자
- 우선 이름
- 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
- IUPAC
- 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
- 영어명
- 1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
- 분자식
- C12H14BrF3N4O2
- 분자량
- 383.1643696
이름 및 동의어
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone1-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-olSTK302436AKOS003765754AK-968/419234342-(4-BROMO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-1-[5-HYDROXY-3-METHYL-5-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-1-ETHANONE2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone512824-63-4
데이터베이스 식별자
- CAS
512824-63-4
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 70.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 501
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…