N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
기본 정보
- CAS
307321-24-0- 표준 SMILES
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CCc1c(C)n[nH]c1C- InChIKey
DLIHYRMKMZCKSU-UHFFFAOYSA-N- 분자식
- C20H24N6O
- 평균 분자량
- 364.4 g/mol
- 단동위원소 질량
- 364.20115941
이름 및 식별자
- 우선 이름
- N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
- IUPAC
- N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
- 영어명
- N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
- 분자식
- C20H24N6O
- 분자량
- 364.44
이름 및 동의어
AKOS030696424UPCMLD0ENAT0503-9540:0011H-Pyrazole-4-propanoic acid, 3,5-dimethyl-, 2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]hydrazideN'-[(E)-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-3-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)PROPANOHYDRAZIDEN'-[(E)-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)METHYLIDENE]-3-(3,5-DIMETHYL-1H-PYRAZOL-4-YL)PROPANOHYDRAZIDEN'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propanehydrazide
데이터베이스 식별자
- CAS
307321-24-0- PubChem CID
- 1107276
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 521
물리화학적 성질
- 밀도
- 1.227 · 1.227±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.276 · 13.276±0.46(predicted)
관련 반응
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