(E)-N'-(3-allyl-2-hydroxybenzylidene)-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide
기본 정보
- CAS
5788-63-6- 표준 SMILES
C=CCc1cccc(/C=N/NC(=O)CCC2C(=O)NN=C2C)c1O- InChIKey
IQBMKLIQDQYPIZ-VCHYOVAHSA-N- 분자식
- C17H20N4O3
- 평균 분자량
- 328.4 g/mol
- 단동위원소 질량
- 328.15354051
이름 및 식별자
- 우선 이름
- (E)-N'-(3-allyl-2-hydroxybenzylidene)-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide
- IUPAC
- N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-3-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)propanamide
이름 및 동의어
307321-30-8(E)-N'-(3-allyl-2-hydroxybenzylidene)-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazide5788-63-6N'-[(1E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene]-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanehydrazideAC1NT1CJCHEMBL2393582DTXSID60417110MFCD01533301STK101806AKOS001484066AKOS016356448ST022077
이름 더 보기
BIM-0045758.P001ZINC000100557115ZINC000100557118C=CCc1cccc(c1O)C=NNC(=O)CCC1C(=NNC1=O)CF1092-1202(E)N(3allyl2hydroxybenzylidene)3(3methyl5oxo45dihydro1Hpyrazol4yl)propanehydrazide3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-N'-{(Z)-[6-oxo-5-(prop-2-en-1-yl)cyclohexa-2,4-dien-1-ylidene]methyl}propanehydrazideN'-[(E)-(3-allyl-2-hydroxyphenyl)methylidene]-3-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)propanohydrazide
데이터베이스 식별자
- CAS
5788-63-6- PubChem CID
- 135457657
- DTXSID
DTXSID60417110- ChEMBL
CHEMBL2393582- EC Number
- 162-623-5
물성
구조 계산 물성
- XLogP
- 1.5
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 544
관련 반응
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