Cas no 78503-80-7 (4-[[4-(4-aminophenyl)phenyl]diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4h-pyrazol-3-one)
78503-80-7 structure
Product Name:4-[[4-(4-aminophenyl)phenyl]diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4h-pyrazol-3-one
CAS No:78503-80-7
MF:C22H18N6O2
MW:398.417323589325
CID:984237
PubChem ID:327702
Update Time:2025-04-20
4-[[4-(4-aminophenyl)phenyl]diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4h-pyrazol-3-one Chemical and Physical Properties
Names and Identifiers
-
- 4-[[4-(4-aminophenyl)phenyl]diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4h-pyrazol-3-one
- NSC-303768
- NSC303768
- 78503-80-7
- DTXSID50316486
- 4-[(E)-(4'-Amino[1,1'-biphenyl]-4-yl)diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-2,4-dihydro-3H-pyrazol-3-one
- DS-005239
- 4-[4-(4-aminophenyl)phenyl]diazenyl-5-methyl-2-(pyridine-4-carbonyl)-4H-pyrazol-3-one
-
- Inchi: 1S/C22H18N6O2/c1-14-20(22(30)28(27-14)21(29)17-10-12-24-13-11-17)26-25-19-8-4-16(5-9-19)15-2-6-18(23)7-3-15/h2-13,20H,23H2,1H3/b26-25+
- InChI Key: PVPHEEWBXNVLGB-OCEACIFDSA-N
- SMILES: O=C1C(C(C)=NN1C(C1C=CN=CC=1)=O)/N=N/C1C=CC(=CC=1)C1C=CC(=CC=1)N
Computed Properties
- Exact Mass: 398.149
- Monoisotopic Mass: 398.149
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 686
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 113?2
Experimental Properties
- Density: 1.36
- Boiling Point: 604.7°C at 760 mmHg
- Flash Point: 319.5°C
- Refractive Index: 1.702
4-[[4-(4-aminophenyl)phenyl]diazenyl]-5-methyl-2-(pyridine-4-carbonyl)-4h-pyrazol-3-one Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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