Cas no 852815-60-2 (1H-Pyrazole-3-carboxylic acid, 5-(4-butylphenyl)-1-methyl-)
852815-60-2 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-(4-butylphenyl)-1-methyl-
CAS No:852815-60-2
MF:C15H18N2O2
MW:258.315623760223
CID:1835840
PubChem ID:69148673
Update Time:2025-04-21
1H-Pyrazole-3-carboxylic acid, 5-(4-butylphenyl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 5-(4-butylphenyl)-1-methyl-
- 5-(4-butylphenyl)-1-methyl-1H-Pyrazole-3-carboxylic acid
- 852815-60-2
- SCHEMBL4694282
- DA-38637
-
- Inchi： 1S/C15H18N2O2/c1-3-4-5-11-6-8-12(9-7-11)14-10-13(15(18)19)16-17(14)2/h6-10H,3-5H2,1-2H3,(H,18,19)
- InChI Key： SOHPPEUDFGRZBK-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C2C=CC(=CC=2)CCCC)N(C)N=1)=O
Computed Properties
- Exact Mass: 258.136827821g/mol
- Monoisotopic Mass: 258.136827821g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 301
- 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: 3.6
- Topological Polar Surface Area: 55.1?2
1H-Pyrazole-3-carboxylic acid, 5-(4-butylphenyl)-1-methyl- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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