Cas no 74440-37-2 (1H-Pyrazole-4-carboxylicacid, 3,5-diamino-1-methyl-)
74440-37-2 structure
Product Name:1H-Pyrazole-4-carboxylicacid, 3,5-diamino-1-methyl-
CAS No:74440-37-2
MF:C5H8N4O2
MW:156.14262008667
CID:556522
PubChem ID:12621023
Update Time:2025-04-19
1H-Pyrazole-4-carboxylicacid, 3,5-diamino-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylicacid, 3,5-diamino-1-methyl-
- 3,5-diamino-1-methylpyrazole-4-carboxylic acid
- DTXSID00504614
- SCHEMBL10467153
- 3,5-Diamino-1-methyl-1H-pyrazole-4-carboxylic acid
- 74440-37-2
-
- Inchi： 1S/C5H8N4O2/c1-9-4(7)2(5(10)11)3(6)8-9/h7H2,1H3,(H2,6,8)(H,10,11)
- InChI Key： NYEJBSCEIOFXEC-UHFFFAOYSA-N
- SMILES： OC(C1C(N)=NN(C)C=1N)=O
Computed Properties
- Exact Mass: 156.06484
- Monoisotopic Mass: 156.06472551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 174
- 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
- Surface Charge: 0
- Tautomer Count: 7
- XLogP3: 0.2
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 107.16
1H-Pyrazole-4-carboxylicacid, 3,5-diamino-1-methyl- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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