Cas no 653574-53-9 (1H-Pyrazol-5-amine, N,1-dimethyl-3-phenyl-)
653574-53-9 structure
Product Name:1H-Pyrazol-5-amine, N,1-dimethyl-3-phenyl-
CAS No:653574-53-9
MF:C11H13N3
MW:187.241021871567
CID:400427
PubChem ID:12427672
Update Time:2025-04-19
1H-Pyrazol-5-amine, N,1-dimethyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazol-5-amine, N,1-dimethyl-3-phenyl-
- N,2-dimethyl-5-phenylpyrazol-3-amine
- N,1-dimethyl-3-phenyl-1H-pyrazol-5-amine
- 1-methyl-5-methylamino-3-phenylpyrazole
- SCHEMBL4133477
- DTXSID80497792
- 653574-53-9
-
- Inchi： 1S/C11H13N3/c1-12-11-8-10(13-14(11)2)9-6-4-3-5-7-9/h3-8,12H,1-2H3
- InChI Key： JDZOREYZSRBEQM-UHFFFAOYSA-N
- SMILES： N1(C)C(=CC(C2C=CC=CC=2)=N1)NC
Computed Properties
- Exact Mass: 187.11109
- Monoisotopic Mass: 187.110947427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 177
- 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: 2.2
- Topological Polar Surface Area: 29.8?2
Experimental Properties
- PSA: 29.85
1H-Pyrazol-5-amine, N,1-dimethyl-3-phenyl- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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