Cas no 124673-62-7 (1H-Indazole, 5-chloro-3-(4-methyl-1-piperazinyl)-)
124673-62-7 structure
Product Name:1H-Indazole, 5-chloro-3-(4-methyl-1-piperazinyl)-
CAS No:124673-62-7
MF:C12H15ClN4
MW:250.727300882339
CID:1216124
PubChem ID:3079217
Update Time:2025-04-20
1H-Indazole, 5-chloro-3-(4-methyl-1-piperazinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole, 5-chloro-3-(4-methyl-1-piperazinyl)-
- 5-chloro-3-(4-methylpiperazin-1-yl)-1H-indazole
- DTXSID00388956
- SCHEMBL9778488
- 124673-62-7
-
- Inchi： 1S/C12H15ClN4/c1-16-4-6-17(7-5-16)12-10-8-9(13)2-3-11(10)14-15-12/h2-3,8H,4-7H2,1H3,(H,14,15)
- InChI Key： QRNHTSFHCVUGIL-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)C(=NN2)N1CCN(C)CC1
Computed Properties
- Exact Mass: 249.09092
- Monoisotopic Mass: 250.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 267
- 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: 2.4
- Topological Polar Surface Area: 35.2?2
Experimental Properties
- PSA: 32.26
1H-Indazole, 5-chloro-3-(4-methyl-1-piperazinyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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