ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
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기본 정보
- CAS
332129-55-2- 표준 SMILES
CCOC(=O)C1=NN(C(=O)c2ccc(C)cc2)C(O)(c2ccc(Cl)cc2)C1- InChIKey
YJBLVHHRKUGQSR-UHFFFAOYSA-N- 분자식
- C20H19ClN2O4
- 평균 분자량
- 386.8 g/mol
이름 및 식별자
- 우선 이름
- ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
- IUPAC
- ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4H-pyrazole-3-carboxylate
- 영어명
- ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
- 분자식
- C20H19ClN2O4
- 분자량
- 386.83
이름 및 동의어
SMR000163638MLS000545082ethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylateethyl 5-(4-chlorophenyl)-5-hydroxy-1-(4-methylbenzoyl)-4H-pyrazole-3-carboxylateOprea1_706817Oprea1_804752CHEMBL1574271BDBM57285cid_4390212REGID_for_CID_4390212HMS2366N05AG-690/13157431
이름 더 보기
1H-Pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-4,5-dihydro-5-hydroxy-1-(4-methylbenzoyl)-, ethyl ester
5-(4-chlorophenyl)-5-hydroxy-1-p-toluoyl-2-pyrazoline-3-carboxylic acid ethyl esterethyl 5-(4-chlorophenyl)-1-(4-methylphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate5-(4-chlorophenyl)-5-hydroxy-1-[(4-methylphenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester
데이터베이스 식별자
- CAS
332129-55-2- ChEMBL
CHEMBL1574271
물성
구조 계산 물성보충 중
- XLogP
- 3.8
- 극성 표면적
- 79.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 595
물리화학적 성질
- 끓는 점
- 546.4 · 546.4±60.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.55 · 10.55±0.40(Predicted)
관련 반응
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