Cas no 137968-29-7 (1H-Pyrazol-5-amine, 4,4'-(phenylmethylene)bis[1-(phenylmethyl)-)
137968-29-7 structure
Product Name:1H-Pyrazol-5-amine, 4,4'-(phenylmethylene)bis[1-(phenylmethyl)-
CAS No:137968-29-7
MF:C27H26N6
MW:434.535544872284
CID:1247645
PubChem ID:15129848
Update Time:2025-04-20
1H-Pyrazol-5-amine, 4,4'-(phenylmethylene)bis[1-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Bis(5-amino-1-benzyl-4-pyrazolyl)phenylmethane
- 4,4a(2)-(Phenylmethylene)bis[1-(phenylmethyl)-1H-pyrazol-5-amine]
- DTXSID001178721
- 137968-29-7
- 1H-Pyrazol-5-amine, 4,4'-(phenylmethylene)bis[1-(phenylmethyl)-
-
- Inchi： 1S/C27H26N6/c28-26-23(16-30-32(26)18-20-10-4-1-5-11-20)25(22-14-8-3-9-15-22)24-17-31-33(27(24)29)19-21-12-6-2-7-13-21/h1-17,25H,18-19,28-29H2
- InChI Key： LDAOSLWWXRVJOF-UHFFFAOYSA-N
- SMILES： N1(CC2C=CC=CC=2)C(=C(C=N1)C(C1C=CC=CC=1)C1C=NN(CC2C=CC=CC=2)C=1N)N
Computed Properties
- Exact Mass: 434.22218
- Monoisotopic Mass: 434.22189485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 33
- Rotatable Bond Count: 7
- Complexity: 541
- 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: 4.4
- Topological Polar Surface Area: 87.7?2
Experimental Properties
- PSA: 87.68
1H-Pyrazol-5-amine, 4,4'-(phenylmethylene)bis[1-(phenylmethyl)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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