Cas no 852815-03-3 (1H-Pyrazole-3-carboxylic acid, 1-methyl-5-[4-(1-methylethyl)phenyl]-)
![1H-Pyrazole-3-carboxylic acid, 1-methyl-5-[4-(1-methylethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/853000/852815-03-3x500.png)
852815-03-3 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 1-methyl-5-[4-(1-methylethyl)phenyl]-
CAS No:852815-03-3
MF:C14H16N2O2
MW:244.289043426514
CID:1840385
PubChem ID:24271096
Update Time:2025-04-21
1H-Pyrazole-3-carboxylic acid, 1-methyl-5-[4-(1-methylethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 1-methyl-5-[4-(1-methylethyl)phenyl]-
- 5-(4-isopropylphenyl)-1-methyl-1H-pyrazole-3-carboxylic acid
- SCHEMBL4746928
- AKOS000351133
- 852815-03-3
- DA-38600
-
- Inchi： 1S/C14H16N2O2/c1-9(2)10-4-6-11(7-5-10)13-8-12(14(17)18)15-16(13)3/h4-9H,1-3H3,(H,17,18)
- InChI Key： USXLRZUALGBJAK-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C2C=CC(=CC=2)C(C)C)N(C)N=1)=O
Computed Properties
- Exact Mass: 244.121177757g/mol
- Monoisotopic Mass: 244.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 298
- 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: 2.9
- Topological Polar Surface Area: 55.1?2
1H-Pyrazole-3-carboxylic acid, 1-methyl-5-[4-(1-methylethyl)phenyl]- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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