2-(N-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-YL)carbamoyl)cyclopropanecarboxylic acid
기본 정보
- CAS
1022478-80-3- 표준 SMILES
Cc1c(NC(=O)C2CC2C(=O)O)c(=O)n(-c2ccccc2)n1C- InChIKey
MSUJKBMHPCMFRK-UHFFFAOYSA-N- 분자식
- C16H17N3O4
- 평균 분자량
- 315.32 g/mol
이름 및 식별자
- 우선 이름
- 2-(N-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-YL)carbamoyl)cyclopropanecarboxylic acid
- IUPAC
- 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
- 영어명
- 2-(N-(2,3-Dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)carbamoyl)cyclopropanecarboxylic acid
- 분자식
- C16H17N3O4
- 분자량
- 315.32
이름 및 동의어
1022478-80-32-(N-(2,3-DIMETHYL-5-OXO-1-PHENYL-3-PYRAZOLIN-4-YL)CARBAMOYL)CYCLOPROPANECARBOXYLIC ACID2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid2-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl)cyclopropane-1-carboxylic acidMFCD00955258XQB47880AKOS005109301MS-74712-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]cyclopropanecarboxylic acid2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylicacidCyclopropanecarboxylic acid, 2-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]carbonyl]-
데이터베이스 식별자
- CAS
1022478-80-3
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 90 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 580
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…