Cas no 89159-00-2 (5-amino-1-pentyl-1H-Pyrazole-4-carbonitrile)
89159-00-2 structure
Product Name:5-amino-1-pentyl-1H-Pyrazole-4-carbonitrile
CAS No:89159-00-2
MF:C9H14N4
MW:178.234261035919
CID:610090
PubChem ID:10921082
Update Time:2025-04-19
5-amino-1-pentyl-1H-Pyrazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-amino-1-pentyl-1H-Pyrazole-4-carbonitrile
- 1H-Pyrazole-4-carbonitrile, 5-amino-1-pentyl-
- 5-amino-1-pentylpyrazole-4-carbonitrile
- SCHEMBL2073708
- DTXSID80448360
- 89159-00-2
- 5-Amino-1-pentyl-4-cyanopyrazole
- GSWDIGMRMLMABI-UHFFFAOYSA-N
- 5-Amino-4-cyano-1-(n-pentyl)pyrazole
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- Inchi： 1S/C9H14N4/c1-2-3-4-5-13-9(11)8(6-10)7-12-13/h7H,2-5,11H2,1H3
- InChI Key： GSWDIGMRMLMABI-UHFFFAOYSA-N
- SMILES： N1(C(=C(C#N)C=N1)N)CCCCC
Computed Properties
- Exact Mass: 178.121846464g/mol
- Monoisotopic Mass: 178.121846464g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 195
- 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: 1.9
- Topological Polar Surface Area: 67.6?2
5-amino-1-pentyl-1H-Pyrazole-4-carbonitrile Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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