Cas no 59434-39-8 (1H-Pyrazole, 3,5-dimethyl-4-(1-methylpropyl)-, (+)-)
59434-39-8 structure
Product Name:1H-Pyrazole, 3,5-dimethyl-4-(1-methylpropyl)-, (+)-
CAS No:59434-39-8
MF:C9H16N2
MW:152.236742019653
CID:950146
PubChem ID:12289634
Update Time:2025-04-19
1H-Pyrazole, 3,5-dimethyl-4-(1-methylpropyl)-, (+)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 3,5-dimethyl-4-(1-methylpropyl)-, (+)-
- 59434-39-8
- 4-(sec-Butyl)-3,5-dimethyl-1H-pyrazole
- SCHEMBL21023552
-
- Inchi： 1S/C9H16N2/c1-5-6(2)9-7(3)10-11-8(9)4/h6H,5H2,1-4H3,(H,10,11)
- InChI Key： IKODTXYZHHWIPI-UHFFFAOYSA-N
- SMILES： N1C(C)=C(C(C)=N1)C(C)CC
Computed Properties
- Exact Mass: 152.131348519g/mol
- Monoisotopic Mass: 152.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 125
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 28.7?2
1H-Pyrazole, 3,5-dimethyl-4-(1-methylpropyl)-, (+)- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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