Cas no 856063-92-8 (1H-Pyrazole,3,4,5-triethyl-)
1H-Pyrazole,3,4,5-triethyl- structure
Product Name:1H-Pyrazole,3,4,5-triethyl-
CAS No:856063-92-8
MF:C9H16N2
MW:152.236742019653
CID:717489
Update Time:2024-01-31
1H-Pyrazole,3,4,5-triethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,3,4,5-triethyl-
- Pyrazole, 3,4,5-triethyl- (3CI)
- Pyrazole, 3,4,5-triethyl- (3CI)
-
- Inchi： 1S/C9H16N2/c1-4-7-8(5-2)10-11-9(7)6-3/h4-6H2,1-3H3,(H,10,11)
- InChI Key： JCHPLYNRJAYHQP-UHFFFAOYSA-N
- SMILES： N1C(CC)=C(CC)C(CC)=N1
Computed Properties
- Exact Mass: 152.131
- Monoisotopic Mass: 152.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 114
- 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
- Topological Polar Surface Area: 28.7A^2
1H-Pyrazole,3,4,5-triethyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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