Cas no 254734-51-5 (1H-Pyrazole-1-carboxamide,5-methyl-3-(1-methylethyl)-)
254734-51-5 structure
Product Name:1H-Pyrazole-1-carboxamide,5-methyl-3-(1-methylethyl)-
CAS No:254734-51-5
MF:C8H13N3O
MW:167.208321332932
CID:246732
Update Time:2024-01-26
1H-Pyrazole-1-carboxamide,5-methyl-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-1-carboxamide,5-methyl-3-(1-methylethyl)-
- 1H-Pyrazole-1-carboxamide,5-methyl-3-(1-methylethyl)-(9CI)
- 1H-Pyrazole-1-carboxamide, 5-methyl-3-(1-methylethyl)-
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- Inchi： 1S/C8H13N3O/c1-5(2)7-4-6(3)11(10-7)8(9)12/h4-5H,1-3H3,(H2,9,12)
- InChI Key： PGQJIBDPHWDRLS-UHFFFAOYSA-N
- SMILES： N1(C(N)=O)C(C)=CC(C(C)C)=N1
Computed Properties
- Exact Mass: 167.106
- Monoisotopic Mass: 167.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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
- Topological Polar Surface Area: 60.9A^2
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Boiling Point: 298.8±43.0 °C(Predicted)
- pka: 13?+-.0.50(Predicted)
1H-Pyrazole-1-carboxamide,5-methyl-3-(1-methylethyl)- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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