Cas no 58880-53-8 (1H-Pyrazole, 1-(3-methoxyphenyl)-3,5-dimethyl-)
58880-53-8 structure
Product Name:1H-Pyrazole, 1-(3-methoxyphenyl)-3,5-dimethyl-
CAS No:58880-53-8
MF:C12H14N2O
MW:202.252362728119
CID:340535
PubChem ID:39240499
Update Time:2025-04-19
1H-Pyrazole, 1-(3-methoxyphenyl)-3,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-(3-methoxyphenyl)-3,5-dimethyl-
- 1-(3-methoxyphenyl)-3,5-dimethylpyrazole
- DTXSID40653574
- 1-(3-Methoxyphenyl)-3,5-dimethyl-1H-pyrazole
- BXXFDNQABAAVMB-UHFFFAOYSA-N
- 58880-53-8
- SCHEMBL11841355
-
- Inchi： 1S/C12H14N2O/c1-9-7-10(2)14(13-9)11-5-4-6-12(8-11)15-3/h4-8H,1-3H3
- InChI Key： BXXFDNQABAAVMB-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CC(=C1)N1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 202.11072
- Monoisotopic Mass: 202.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 210
- 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: 2.7
- Topological Polar Surface Area: 27?2
Experimental Properties
- PSA: 27.05
1H-Pyrazole, 1-(3-methoxyphenyl)-3,5-dimethyl- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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