Cas no 80199-88-8 (1H-PYRAZOLE-4-CARBONITRILE, 1-(HYDROXYMETHYL)-)
80199-88-8 structure
Product Name:1H-PYRAZOLE-4-CARBONITRILE, 1-(HYDROXYMETHYL)-
CAS No:80199-88-8
MF:C5H5N3O
MW:123.112700223923
CID:3232804
PubChem ID:20205321
Update Time:2025-04-21
1H-PYRAZOLE-4-CARBONITRILE, 1-(HYDROXYMETHYL)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-PYRAZOLE-4-CARBONITRILE, 1-(HYDROXYMETHYL)-
- DTXSID601255272
- 1-(hydroxymethyl)-1H-pyrazole-4-carbonitrile
- SCHEMBL10784441
- 80199-88-8
-
- Inchi： 1S/C5H5N3O/c6-1-5-2-7-8(3-5)4-9/h2-3,9H,4H2
- InChI Key： QLQJJSBXHFCGAG-UHFFFAOYSA-N
- SMILES： OCN1C=C(C#N)C=N1
Computed Properties
- Exact Mass: 123.043261792Da
- Monoisotopic Mass: 123.043261792Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 138
- 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: -0.7
- Topological Polar Surface Area: 61.8?2
1H-PYRAZOLE-4-CARBONITRILE, 1-(HYDROXYMETHYL)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
80199-88-8 (1H-PYRAZOLE-4-CARBONITRILE, 1-(HYDROXYMETHYL)-) Related Products
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