Cas no 15802-97-8 (1H-Pyrazole, 1,4,5-trimethyl-)
1H-Pyrazole, 1,4,5-trimethyl- structure
Product Name:1H-Pyrazole, 1,4,5-trimethyl-
CAS No:15802-97-8
MF:C6H10N2
MW:110.157001018524
CID:1335863
PubChem ID:12115801
Update Time:2025-04-20
1H-Pyrazole, 1,4,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1,4,5-trimethyl-
- 1,4,5-trimethylpyrazole
- 15802-97-8
- SCHEMBL115510
- DTXSID50902500
- NoName_3004
-
- Inchi: 1S/C6H10N2/c1-5-4-7-8(3)6(5)2/h4H,1-3H3
- InChI Key: SUHBKHNLQCODJL-UHFFFAOYSA-N
- SMILES: N1(C)C(C)=C(C)C=N1
Computed Properties
- Exact Mass: 110.0845
- Monoisotopic Mass: 110.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 82.6
- 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
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Pyrazole, 1,4,5-trimethyl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
15802-97-8 (1H-Pyrazole, 1,4,5-trimethyl-) Related Products
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