4-[(4-Bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
기본 정보
- CAS
2316-05-4- 표준 SMILES
Cc1c(C(c2ccc(Br)cc2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C- InChIKey
GDNYJRREGQZZHQ-UHFFFAOYSA-N- 분자식
- C29H27BrN4O2
- 평균 분자량
- 543.5 g/mol
이름 및 식별자
- 우선 이름
- 4-[(4-Bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- IUPAC
- 4-[(4-bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- 영어명
- 4-[(4-bromophenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- 분자식
- C29H27BrN4O2
- 분자량
- 543.45
이름 및 동의어
4-[(4-bromophenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one4-[(4-bromophenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneMLS001202809CHEMBL1446883HMS2849O15AKOS000519570SMR000513275ST50221069AG-690/097040312316-05-44-[(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(4-bromophenyl)methyl]-2,3-d imethyl-1-phenyl-3-pyrazolin-5-one3H-Pyrazol-3-one, 4,4'-[(4-bromophenyl)methylene]bis[1,2-dihydro-1,5-dimethyl-2-phenyl-
데이터베이스 식별자
- CAS
2316-05-4- ChEMBL
CHEMBL1446883- Nikkaji
- J1.791.231C
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 47.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 862
물리화학적 성질
- 녹는점
- 185 °C · 185 °C
- 끓는 점
- 639.3 · 639.3±65.0 °C(Predicted)
- 밀도
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.85 · 0.85±0.65(Predicted)
관련 반응
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