N'-[(E)-(3-bromophenyl)methylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
기본 정보
- CAS
1285547-88-7- 표준 SMILES
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)n[nH]2)o1- InChIKey
ZXMANXKAXWGEMM-GIJQJNRQSA-N- 분자식
- C16H13BrN4O2
- 평균 분자량
- 373.2 g/mol
이름 및 식별자
- 우선 이름
- N'-[(E)-(3-bromophenyl)methylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(3-bromophenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
- 영어명
- N'-[(E)-(3-bromophenyl)methylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
- 분자식
- C16H13BrN4O2
- 분자량
- 373.2
이름 및 동의어
N'-[(E)-(3-bromophenyl)methylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazideSTK102677AKOS001635363ST023101SR-01000108962SR-01000108962-1(E)-N'-(3-bromobenzylidene)-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazideN'-[(E)-(3-bromophenyl)methylidene]-3-(5-methyl-2-furyl)-1H-pyrazole-5-carbohydrazideN-[(1E)-2-(3-bromophenyl)-1-azavinyl][3-(5-methyl(2-furyl))pyrazol-5-yl]carbox amideN'-(3-BROMOBENZYLIDENE)-3-(5-METHYL-2-FURYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN'-(3-BROMOBENZYLIDENE)-3-(5-METHYL-2-FURYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE1H-Pyrazole-3-carboxylic acid, 5-(5-methyl-2-furanyl)-, (2E)-2-[(3-bromophenyl)methylene]hydrazide
데이터베이스 식별자
- CAS
1285547-88-7
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 83.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 448
물리화학적 성질
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.91 · 10.91±0.10(Predicted)
관련 반응
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