Cas no 650628-57-2 (1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-propylphenyl)-)
650628-57-2 structure
Product Name:1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-propylphenyl)-
CAS No:650628-57-2
MF:C13H14N4
MW:226.27706193924
CID:408396
PubChem ID:69703074
Update Time:2025-04-19
1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-propylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-propylphenyl)-
- 5-amino-1-(3-propylphenyl)-1H-Pyrazole-4-carbonitrile
- 5-amino-1-(3-propylphenyl)pyrazole-4-carbonitrile
- FT-0729176
- SCHEMBL6204920
- DTXSID60741124
- 650628-57-2
-
- Inchi： 1S/C13H14N4/c1-2-4-10-5-3-6-12(7-10)17-13(15)11(8-14)9-16-17/h3,5-7,9H,2,4,15H2,1H3
- InChI Key： QOEJAQDFFHDMBX-UHFFFAOYSA-N
- SMILES： N1(C(=C(C#N)C=N1)N)C1=CC=CC(=C1)CCC
Computed Properties
- Exact Mass: 226.12202
- Monoisotopic Mass: 226.121846464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 67.6?2
Experimental Properties
- PSA: 67.63
1H-Pyrazole-4-carbonitrile, 5-amino-1-(3-propylphenyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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