2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
기본 정보
- CAS
307347-04-2- 표준 SMILES
COc1ccccc1/C=C/C=N/NC(=O)CC1C(=O)NN=C1C- InChIKey
YVDZCMHQQSSSJZ-VZGLCWHJSA-N- 분자식
- C16H18N4O3
- 평균 분자량
- 314.34 g/mol
- 단동위원소 질량
- 314.13789045
이름 및 식별자
- 우선 이름
- 2-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide
- IUPAC
- N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
이름 및 동의어
307347-04-2MLS000768176CHEMBL3196045DTXSID601328558STK577538AKOS005503271AKOS0251518732-(3-hydroxy-5-methyl-4H-pyrazol-4-yl)-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazideSMR000431477SR-01000080493SR-01000080493-1(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-acetic acid [(E)-3-(2-methoxy-phenyl)-prop-2-en-(E)-ylidene]-hydrazide
이름 더 보기
(E)-N'-((E)-3-(2-methoxyphenyl)allylidene)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetohydrazideN'-[(1E,2E)-3-(2-Methoxyphenyl)prop-2-en-1-ylidene]-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)acetohydrazideN-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)acetamide
데이터베이스 식별자
- CAS
307347-04-2- PubChem CID
- 9636105
- DTXSID
DTXSID601328558- ChEMBL
CHEMBL3196045
물성
구조 계산 물성
- XLogP
- 0.8
- 극성 표면적
- 92.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 527
실험 및 물리화학적 성질
Solubility30.4 [ug/mL] (The mean of the results at pH 7.4)
관련 반응
0건
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