Cas no 72127-48-1 (3-(Hydroxymethyl)-1H-pyrazole-5-carboxamide)
72127-48-1 structure
Product Name:3-(Hydroxymethyl)-1H-pyrazole-5-carboxamide
CAS No:72127-48-1
MF:C5H7N3O2
MW:141.127980470657
CID:5746014
PubChem ID:37819169
Update Time:2023-11-11
3-(Hydroxymethyl)-1H-pyrazole-5-carboxamide Chemical and Physical Properties
Names and Identifiers
-
- 71083-83-5
- 5-(Hydroxymethyl)-1H-pyrazole-3-carboxamide
- 1h-pyrazole-3-carboxamide,5-(hydroxymethyl)-
- AKOS006339531
- A837074
- DTXSID30653361
- MFCD11706983
- AKOS015854442
- 3-(Hydroxymethyl)-1H-pyrazole-5-carboxamide
- CS-0360612
- 1H-Pyrazole-3-carboxamide,5-(hydroxymethyl)-(9ci)
- F20188
- 72127-48-1
-
- Inchi： 1S/C5H7N3O2/c6-5(10)4-1-3(2-9)7-8-4/h1,9H,2H2,(H2,6,10)(H,7,8)
- InChI Key： PAXZTVDTCUVFOG-UHFFFAOYSA-N
- SMILES： OCC1=CC(C(N)=O)=NN1
Computed Properties
- Exact Mass: 141.053826475g/mol
- Monoisotopic Mass: 141.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 139
- 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: -1.4
- Topological Polar Surface Area: 92?2
3-(Hydroxymethyl)-1H-pyrazole-5-carboxamide Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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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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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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