Cas no 77746-53-3 (1H-Pyrazol-5-amine, 1-(4-nitrophenyl)-3-phenyl-)
77746-53-3 structure
Product Name:1H-Pyrazol-5-amine, 1-(4-nitrophenyl)-3-phenyl-
CAS No:77746-53-3
MF:C15H12N4O2
MW:280.28138256073
CID:535561
PubChem ID:880881
Update Time:2025-04-19
1H-Pyrazol-5-amine, 1-(4-nitrophenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazol-5-amine, 1-(4-nitrophenyl)-3-phenyl-
- 2-(4-nitrophenyl)-5-phenylpyrazol-3-amine
- 1-(4-nitrophenyl)-3-phenyl-1H-pyrazol-5-amine
- 77746-53-3
- DTXSID50358205
- SR-01000232727
- SR-01000232727-1
- AKOS005455141
-
- Inchi： 1S/C15H12N4O2/c16-15-10-14(11-4-2-1-3-5-11)17-18(15)12-6-8-13(9-7-12)19(20)21/h1-10H,16H2
- InChI Key： HPMXTCWUUVDDHY-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)N1C(=CC(C2C=CC=CC=2)=N1)N)=O
Computed Properties
- Exact Mass: 280.09616
- Monoisotopic Mass: 280.09602564g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 359
- 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: 3
- Topological Polar Surface Area: 89.7?2
Experimental Properties
- PSA: 86.98
1H-Pyrazol-5-amine, 1-(4-nitrophenyl)-3-phenyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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