Cas no 922711-58-8 (Benzenamine, 5-chloro-2-(1H-pyrazol-1-ylmethyl)-)
922711-58-8 structure
Product Name:Benzenamine, 5-chloro-2-(1H-pyrazol-1-ylmethyl)-
CAS No:922711-58-8
MF:C10H10ClN3
MW:207.659500598907
CID:739738
PubChem ID:62101084
Update Time:2025-04-19
Benzenamine, 5-chloro-2-(1H-pyrazol-1-ylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 5-chloro-2-(1H-pyrazol-1-ylmethyl)-
- 5-chloro-2-(pyrazol-1-ylmethyl)aniline
- SCHEMBL14610740
- 922711-58-8
- DTXSID20734335
- 5-Chloro-2-[(1H-pyrazol-1-yl)methyl]aniline
- AKOS011380512
- 2-((1H-pyrazol-1-yl)methyl)-5-chloroaniline
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- Inchi： 1S/C10H10ClN3/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13-14/h1-6H,7,12H2
- InChI Key： IAUJMJSRAHUUIX-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C=1)N)CN1C=CC=N1
Computed Properties
- Exact Mass: 207.0563250g/mol
- Monoisotopic Mass: 207.0563250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 188
- 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: 1.8
- Topological Polar Surface Area: 43.8?2
Benzenamine, 5-chloro-2-(1H-pyrazol-1-ylmethyl)- Related Literature
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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