Cas no 87375-40-4 (1H-Pyrazole-5-methanol, 4-ethynyl-1-methyl- (9CI))
87375-40-4 structure
Product Name:1H-Pyrazole-5-methanol, 4-ethynyl-1-methyl- (9CI)
CAS No:87375-40-4
MF:C7H8N2O
MW:136.15122127533
CID:1017665
PubChem ID:13107490
Update Time:2025-04-20
1H-Pyrazole-5-methanol, 4-ethynyl-1-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-5-methanol, 4-ethynyl-1-methyl- (9CI)
- 87375-40-4
- DTXSID901270180
- 4-Ethynyl-1-methyl-1H-pyrazole-5-methanol
- DB-279593
- 1H-PYRAZOLE-5-METHANOL, 4-ETHYNYL-1-METHYL-
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- Inchi： 1S/C7H8N2O/c1-3-6-4-8-9(2)7(6)5-10/h1,4,10H,5H2,2H3
- InChI Key： FGSWKUYXQJZZRN-UHFFFAOYSA-N
- SMILES： OCC1=C(C#C)C=NN1C
Computed Properties
- Exact Mass: 136.063662883g/mol
- Monoisotopic Mass: 136.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 160
- 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: -0.4
- Topological Polar Surface Area: 38?2
1H-Pyrazole-5-methanol, 4-ethynyl-1-methyl- (9CI) Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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