Cas no 137968-32-2 (1H-Pyrazole, 4-bromo-3-methyl-1-(phenylmethyl)-)
137968-32-2 structure
Product Name:1H-Pyrazole, 4-bromo-3-methyl-1-(phenylmethyl)-
CAS No:137968-32-2
MF:C11H11BrN2
MW:251.122441530228
CID:1248400
PubChem ID:71675778
Update Time:2025-04-20
1H-Pyrazole, 4-bromo-3-methyl-1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 4-bromo-3-methyl-1-(phenylmethyl)-
- NECIAAGVELKHGI-UHFFFAOYSA-N
- SCHEMBL15554968
- DB-201596
- 1-Benzyl-4-bromo-3-methyl-1H-pyrazole
- 137968-32-2
-
- Inchi： 1S/C11H11BrN2/c1-9-11(12)8-14(13-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
- InChI Key： NECIAAGVELKHGI-UHFFFAOYSA-N
- SMILES： BrC1C(C)=NN(C=1)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 250.01056g/mol
- Monoisotopic Mass: 250.01056g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 180
- 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: 2.9
- Topological Polar Surface Area: 17.8?2
1H-Pyrazole, 4-bromo-3-methyl-1-(phenylmethyl)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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