ethyl 5-{2-[2-oxo-2-(1-pyrrolidinyl)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate
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기본 정보
- CAS
477709-26-5- 표준 SMILES
CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1C(=O)C(=O)N1CCCC1- InChIKey
BLTOBLMYWTXTIW-UHFFFAOYSA-N- 분자식
- C22H22N4O4
- 평균 분자량
- 406.4 g/mol
- 단동위원소 질량
- 406.1641052
이름 및 식별자
- 우선 이름
- ethyl 5-{2-[2-oxo-2-(1-pyrrolidinyl)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-[2-(2-oxo-2-pyrrolidin-1-ylacetyl)pyrrol-1-yl]-1-phenylpyrazole-4-carboxylate
- 영어명
- ETHYL 5-(2-[2-OXO-2-(1-PYRROLIDINYL)ACETYL]-1H-PYRROL-1-YL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE
- 분자식
- C22H22N4O4
- 분자량
- 406.43
이름 및 동의어
477709-26-5ethyl 5-{2-[2-oxo-2-(1-pyrrolidinyl)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylateethyl 5-[2-(2-oxo-2-pyrrolidin-1-ylacetyl)pyrrol-1-yl]-1-phenylpyrazole-4-carboxylateethyl 5-{2-[2-oxo-2-(pyrrolidin-1-yl)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylateEthyl 5-(2-(2-oxo-2-(pyrrolidin-1-yl)acetyl)-1H-pyrrol-1-yl)-1-phenyl-1H-pyrazole-4-carboxylateAKOS00507889911P-359Sethyl5-{2-[2-oxo-2-(pyrrolidin-1-yl)acetyl]-1H-pyrrol-1-yl}-1-phenyl-1H-pyrazole-4-carboxylateETHYL 5-(2-[2-OXO-2-(1-PYRROLIDINYL)ACETYL]-1H-PYRROL-1-YL)-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLATE1H-Pyrazole-4-carboxylic acid, 5-[2-[2-oxo-2-(1-pyrrolidinyl)acetyl]-1H-pyrrol-1-yl]-1-phenyl-, ethyl ester
데이터베이스 식별자
- CAS
477709-26-5- PubChem CID
- 2767886
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 86.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 645
물리화학적 성질
- 끓는 점
- 597.5 · 597.5±60.0 °C(Predicted)
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.48 · -1.48±0.20(Predicted)
관련 반응
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