ethyl 5-(2-{2-oxo-2-[2-(trifluoromethyl)anilino]acetyl}-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate
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기본 정보
- CAS
477709-30-1- 표준 SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1C(=O)C(=O)Nc1ccccc1C(F)(F)F- InChIKey
RAWDIRKPUCYRKH-UHFFFAOYSA-N- 분자식
- C25H19F3N4O4
- 평균 분자량
- 496.4 g/mol
- 단동위원소 질량
- 496.13583959
이름 및 식별자
- 우선 이름
- ethyl 5-(2-{2-oxo-2-[2-(trifluoromethyl)anilino]acetyl}-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-[2-[2-oxo-2-[2-(trifluoromethyl)anilino]acetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate
- 영어명
- ETHYL 5-(2-(2-OXO-2-[2-(TRIFLUOROMETHYL)ANILINO]ACETYL)-1H-PYRROL-1-YL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
- 분자식
- C25H19F3N4O4
- 분자량
- 496.44
이름 및 동의어
477709-30-1ethyl 5-(2-{2-oxo-2-[2-(trifluoromethyl)anilino]acetyl}-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylateethyl 1-phenyl-5-[2-({[2-(trifluoromethyl)phenyl]carbamoyl}carbonyl)-1H-pyrrol-1-yl]-1H-pyrazole-4-carboxylateethyl 5-[2-[2-oxo-2-[2-(trifluoromethyl)anilino]acetyl]pyrrol-1-yl]-1-phenylpyrazole-4-carboxylateMLS000546540CHEMBL1469083HMS2305M07AKOS00507891411P-363SSMR000179938Ethyl 5-(2-(2-oxo-2-((2-(trifluoromethyl)phenyl)amino)acetyl)-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylateethyl1-phenyl-5-[2-({[2-(trifluoromethyl)phenyl]carbamoyl}carbonyl)-1H-pyrrol-1-yl]-1H-pyrazole-4-carboxylate
이름 더 보기
ETHYL 5-(2-(2-OXO-2-[2-(TRIFLUOROMETHYL)ANILINO]ACETYL)-1H-PYRROL-1-YL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE1H-Pyrazole-4-carboxylic acid, 5-[2-[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]acetyl]-1H-pyrrol-1-yl]-1-phenyl-, ethyl ester
물성
구조 계산 물성보충 중
- XLogP
- 4.8
- 극성 표면적
- 95.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 805
물리화학적 성질
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.02 · 10.02±0.70(Predicted)
관련 반응
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