Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
N'-[(E)-(2-hydroxy-1-naphthyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide
N'-[(E)-(2-HYDROXY-1-NAPHTHYL)METHYLIDENE]-3-(1-METHYL-1H-PYRROL-2-YL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE · N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide · 1H-Pyrazole-3-carboxylic acid, 5-(1-methyl-1H-pyrrol-2-yl)-, (2E)-2-[(2-hydroxy-1-naphthalenyl)methylene]hydrazide
![N'-[(E)-(2-hydroxy-1-naphthyl)methylidene]-3-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carbohydrazide 분자 구조식](/img/chemical/178953003.png)
식별자 및 물리적 특성
| CAS No. | 1285532-46-8 |
|---|---|
| 분자식 | C20H17N5O2 |
| 평균 분자량 | 359.4 g/mol |
| SMILES | Cn1cccc1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)n[nH]1 |
| InChIKey | TVXPMDJEPUKEGC-CIAFOILYSA-N |
화학 및 물리적 성질
| XLogP | 2.8 |
|---|---|
| 극성 표면적 | 95.3 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 27 |
| 형식 전하 | 0 |
| 복잡도 | 556 |
| 밀도 | 1.36±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 7.61±0.50(Predicted) |