Cas no 4788-14-1 (1H-Pyrazole-4-carbonitrile,5-amino-1-propyl-)
4788-14-1 structure
Product Name:1H-Pyrazole-4-carbonitrile,5-amino-1-propyl-
1H-Pyrazole-4-carbonitrile,5-amino-1-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carbonitrile,5-amino-1-propyl-
- 1H-Pyrazole-4-carbonitrile,5-amino-1-propyl-(9CI)
- 5-Amino-1-propyl-1H-pyrazole-4-carbonitrile
- 5-Amino-4-cyano-1-propylpyrazole
- Pyrazole-4-carbonitrile,5-amino-1-propyl- (7CI,8CI)
- 5-amino-4-cyano-1-n-propylpyrazole
- AKOS010517505
- A1-30106
- 4788-14-1
- SCHEMBL2077595
- GJKBSGKZDKYIPS-UHFFFAOYSA-N
-
- Inchi： 1S/C7H10N4/c1-2-3-11-7(9)6(4-8)5-10-11/h5H,2-3,9H2,1H3
- InChI Key： GJKBSGKZDKYIPS-UHFFFAOYSA-N
- SMILES： N1(C(=C(C#N)C=N1)N)CCC
Computed Properties
- Exact Mass: 150.0907
- Monoisotopic Mass: 150.090546336g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 171
- 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: 1
- Topological Polar Surface Area: 67.6?2
Experimental Properties
- PSA: 67.63
1H-Pyrazole-4-carbonitrile,5-amino-1-propyl- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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