1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-1H-imidazole-4,5-dicarbonitrile
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기본 정보
- CAS
1024232-73-2- 표준 SMILES
Cn1c(Cn2cnc(C#N)c2C#N)c(Br)c(=O)n1-c1ccccc1- InChIKey
RGXYLDYWCDVDCE-UHFFFAOYSA-N- 분자식
- C16H11BrN6O
- 평균 분자량
- 383.2 g/mol
- 단동위원소 질량
- 382.01777
이름 및 식별자
- 우선 이름
- 1-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-1H-imidazole-4,5-dicarbonitrile
- IUPAC
- 1-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile
- 영어명
- 1-((4-BROMO-2-METHYL-5-OXO-1-PHENYL-3-PYRAZOLIN-3-YL)METHYL)IMIDAZOLE-4,5-DICARBONITRILE
- 분자식
- C16H11BrN6O
- 분자량
- 383.2
이름 및 동의어
1024232-73-21-[(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-1H-imidazole-4,5-dicarbonitrile1-[(4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile1-((4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl)-1H-imidazole-4,5-dicarbonitrileMFCD00245514C16H11BrN6O1-((4-BROMO-2-METHYL-5-OXO-1-PHENYL-3-PYRAZOLIN-3-YL)METHYL)IMIDAZOLE-4,5-DICARBONITRILEAKOS005109494MS-71191-[(4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl]imidazole-4,5-dicarbonitrile1-[(4-Bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]-1H-imidazole-4,5-dicar1H-Imidazole-4,5-dicarbonitrile, 1-[(4-bromo-2,5-dihydro-2-methyl-5-oxo-1-phenyl-1H-pyrazol-3-yl)methyl]-
데이터베이스 식별자
- CAS
1024232-73-2- PubChem CID
- 4395284
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 89 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 652
물리화학적 성질
- 끓는 점
- 607.7 · 607.7±65.0 °C(Predicted)
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.35 · -1.35±0.70(Predicted)
관련 반응
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