N'-((E)-(3,4-Dimethoxyphenyl)methylidene)-3-(4-isopropoxy-3-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
기본 정보
- CAS
302917-91-5- 표준 SMILES
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OC(C)C)c(OC)c3)n[nH]2)cc1OC- InChIKey
GMKHQWRYJMDOHL-ZMOGYAJESA-N- 분자식
- C23H26N4O5
- 평균 분자량
- 438.5 g/mol
- 단동위원소 질량
- 438.19031994
이름 및 식별자
- 우선 이름
- N'-((E)-(3,4-Dimethoxyphenyl)methylidene)-3-(4-isopropoxy-3-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(3-methoxy-4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
이름 및 동의어
N'-[(E)-(3,4-DIMETHOXYPHENYL)METHYLIDENE]-3-(4-ISOPROPOXY-3-METHOXYPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-((E)-(3,4-Dimethoxyphenyl)methylidene)-3-(4-isopropoxy-3-methoxyphenyl)-1H-pyrazole-5-carbohydrazideRefChem:819886302917-91-5651-982-81285541-15-2(E)-N'-(3,4-dimethoxybenzylidene)-3-(4-isopropoxy-3-methoxyphenyl)-1H-pyrazole-5-carbohydrazideN'-[(1E)-(3,4-dimethoxyphenyl)methylidene]-3-[3-methoxy-4-(propan-2-yloxy)phenyl]-1H-pyrazole-5-carbohydrazideMFCD02675668STK104406ZINC33333553AKOS001641416
이름 더 보기
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3-(3-methoxy-4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamideZINC000005319143ST50054300F1126-1008COc1cc(ccc1OC(C)C)c1n(nH)c(c1)C(=O)NN=Cc1ccc(c(c1)OC)OC(E)N(34dimethoxybenzylidene)3(4isopropoxy3methoxyphenyl)1Hpyrazole5carbohydrazideCC(C)OC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)NN=CC3=CC(=C(C=C3)OC)OC)OCN((1E)2(34DIMETHOXYPHENYL)1AZAVINYL)(3(3METHOXY4(METHYLETHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
데이터베이스 식별자
- CAS
302917-91-5- PubChem CID
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 619
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
관련 반응
0건
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