기본 정보
- CAS
125298-64-8- 표준 SMILES
COc1ccc(C=Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1O- InChIKey
CNVPOLJIKONRCF-UHFFFAOYSA-N- 분자식
- C19H19N3O3
- 평균 분자량
- 337.4 g/mol
이름 및 식별자
- 우선 이름
- 4-[(3-hydroxy-4-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
- 영어명
- 4-[(3-hydroxy-4-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- 분자식
- C19H19N3O3
- 분자량
- 337.37
이름 및 동의어
125298-64-84-[(3-hydroxy-4-methoxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one(E)-4-((3-hydroxy-4-methoxybenzylidene)amino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-oneChemDiv1_0244894-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-oneOprea1_225642Oprea1_371939HMS656J03STK806236AKOS000592372ST50230610AE-848/33586017
이름 더 보기
3H-Pyrazol-3-one, 1,2-dihydro-4-[[(3-hydroxy-4-methoxyphenyl)methylene]amino]-1,5-dimethyl-2-phenyl-
4-[(1E)-2-(3-hydroxy-4-methoxyphenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-3-pyra zolin-5-one4-[(E)-[(3-HYDROXY-4-METHOXYPHENYL)METHYLIDENE]AMINO]-1,5-DIMETHYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-ONE4-{[(E)-(3-hydroxy-4-methoxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
데이터베이스 식별자
- CAS
125298-64-8
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 65.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 554
물리화학적 성질
- 끓는 점
- 497.2 · 497.2±55.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.36 · 8.36±0.10(Predicted)
화학 및 산업
공급사3 곳
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