Cas no 347874-48-0 (1H-Pyrazole-1-carboxamide,4-amino-3,5-dimethyl-)
347874-48-0 structure
Product Name:1H-Pyrazole-1-carboxamide,4-amino-3,5-dimethyl-
CAS No:347874-48-0
MF:C6H10N4O
MW:154.169800281525
CID:302713
PubChem ID:765159
Update Time:2025-04-19
1H-Pyrazole-1-carboxamide,4-amino-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-1-carboxamide,4-amino-3,5-dimethyl-
- 1H-Pyrazole-1-carboxamide,4-amino-3,5-dimethyl-(9CI)
- 347874-48-0
- 4-Amino-3,5-dimethyl-1H-pyrazole-1-carboxamide
-
- Inchi： 1S/C6H10N4O/c1-3-5(7)4(2)10(9-3)6(8)11/h7H2,1-2H3,(H2,8,11)
- InChI Key： NXXUDQSVKCTFJL-UHFFFAOYSA-N
- SMILES： O=C(N)N1C(C)=C(C(C)=N1)N
Computed Properties
- Exact Mass: 154.0856
- Monoisotopic Mass: 154.08546096g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 172
- 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: -0.3
- Topological Polar Surface Area: 86.9?2
Experimental Properties
- PSA: 86.93
1H-Pyrazole-1-carboxamide,4-amino-3,5-dimethyl- Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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