3-(5-Chloro-2-thienyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazide
기본 정보
- CAS
302918-13-4- 표준 SMILES
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2ccc(Cl)s2)[nH]n1- InChIKey
XHTIDIACWSSMPW-SSDVNMTOSA-N- 분자식
- C20H17ClN6OS
- 평균 분자량
- 424.9 g/mol
- 단동위원소 질량
- 424.0873081
이름 및 식별자
- 우선 이름
- 3-(5-Chloro-2-thienyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazide
- IUPAC
- 5-(5-chlorothiophen-2-yl)-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-3-carboxamide
- 영어명
- 5-(5-chlorothiophen-2-yl)-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-3-carboxamide
- 분자식
- C20H17ClN6OS
- 분자량
- 424.91
이름 및 동의어
3-(5-chloro-2-thienyl)-N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-1H-pyrazole-5-carbohydrazide3-(5-Chloro-2-thienyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazideRefChem:493720302918-13-4652-017-3MLS000568325SMR0001771785-(5-Chloro-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid (3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene)-hydrazideCHEMBL1967772BDBM57338cid_1128614AKOS000561779
이름 더 보기
5-(5-chlorothiophen-2-yl)-N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-3-carboxamide1H-Pyrazole-3-carboxylic acid, 5-(5-chloro-2-thienyl)-, 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]hydrazide
ST0215015-(5-chloranylthiophen-2-yl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-1H-pyrazole-3-carboxamide5-(5-chloro-2-thienyl)-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-1H-pyrazole-3-carboxamide5-(5-chloro-2-thiophenyl)-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-1H-pyrazole-3-carboxamide5-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-3-carboxamideN-[(1E)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-azavinyl][3-(5-chloro(2-thieny l))pyrazol-5-yl]carboxamide
데이터베이스 식별자
- CAS
302918-13-4- PubChem CID
- 6869553
- ChEMBL
CHEMBL1967772- EC Number
- 652-017-3
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 604
물리화학적 성질
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.02 · 10.02±0.10(Predicted)
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, P273, 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 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
관련 반응
0건
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