Cas no 13084-76-9 (1H-Pyrazole,3,5-dimethyl-4-(1-methylethyl)-)
13084-76-9 structure
Product Name:1H-Pyrazole,3,5-dimethyl-4-(1-methylethyl)-
CAS No:13084-76-9
MF:C8H14N2
MW:138.210161685944
CID:177935
PubChem ID:266065
Update Time:2025-04-19
1H-Pyrazole,3,5-dimethyl-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,3,5-dimethyl-4-(1-methylethyl)-
- 3,5-dimethyl-4-propan-2-yl-1H-pyrazole
- 3,5-Dimethyl-4-isopropylpyrazol
- 4-isopropyl-3,5-dimethyl-1H-pyrazole
- SCHEMBL10297544
- AKOS004907942
- 13084-76-9
- NSC103094
- NSC-103094
- 3,5-dimethyl-4-(propan-2-yl)-1h-pyrazole
- DTXSID70295562
-
- Inchi： 1S/C8H14N2/c1-5(2)8-6(3)9-10-7(8)4/h5H,1-4H3,(H,9,10)
- InChI Key： NYRGQNFSWYXHKD-UHFFFAOYSA-N
- SMILES： N1C(C)=C(C(C)=N1)C(C)C
Computed Properties
- Exact Mass: 138.11600
- Monoisotopic Mass: 138.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 112
- 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: 2.1
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- Density: 0.962
- Boiling Point: 244.3°Cat760mmHg
- Flash Point: 100.4°C
- Refractive Index: 1.505
- PSA: 28.68000
- LogP: 2.14990
1H-Pyrazole,3,5-dimethyl-4-(1-methylethyl)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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