Cas no 852814-93-8 (1H-Pyrazole-3-carboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-)
![1H-Pyrazole-3-carboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-1-methyl- structure](https://ossimg.kuujia.com/scimg/853000/852814-93-8x500.png)
852814-93-8 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-
CAS No:852814-93-8
MF:C15H18N2O2
MW:258.315623760223
CID:1840381
PubChem ID:24271107
Update Time:2025-04-21
1H-Pyrazole-3-carboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-1-methyl-
- 5-(4-tert-butylphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid
- DA-38553
- 852814-93-8
- SCHEMBL4688189
-
- Inchi： 1S/C15H18N2O2/c1-15(2,3)11-7-5-10(6-8-11)13-9-12(14(18)19)16-17(13)4/h5-9H,1-4H3,(H,18,19)
- InChI Key： JURQJDTUVXHNDT-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C2C=CC(=CC=2)C(C)(C)C)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: 3
- Complexity: 330
- 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: 3.4
- Topological Polar Surface Area: 55.1?2
1H-Pyrazole-3-carboxylic acid, 5-[4-(1,1-dimethylethyl)phenyl]-1-methyl- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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