Cas no 890621-41-7 (1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)-)
1H-Pyrazole-5-carboxylic acid, 3-(2-methylphenyl)-, is a heterocyclic organic compound featuring a pyrazole core substituted with a 2-methylphenyl group at the 3-position and a carboxylic acid moiety at the 5-position. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. The aromatic methyl group enhances lipophilicity, potentially improving bioavailability in drug design. The carboxylic acid functionality allows for further derivatization, enabling the formation of amides, esters, or metal complexes. Its well-defined structure and reactive sites make it valuable for precise molecular modifications in medicinal chemistry and material science. High purity grades ensure consistent performance in research and industrial processes.
890621-41-7 structure
Product Name:1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)-
CAS No:890621-41-7
MF:C11H10N2O2
MW:202.209302425385
CID:714441
PubChem ID:4015617
Update Time:2025-05-27
1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)-
- 5-O-TOLYL-2H-PYRAZOLE-3-CARBOXYLIC ACID
- VS-01884
- DTXSID30398548
- CS-0037353
- 3-(o-tolyl)-1H-pyrazole-5-carboxylicacid
- SB75057
- MFCD05170020
- F3250-0742
- 1140528-29-5
- 3-(2-methylphenyl)-1H-pyrazole-5-carboxylic acid
- 3-(2-methylphenyl)pyrazole-5-carboxylic acid
- AM804504
- 3-(o-tolyl)-1H-pyrazole-5-carboxylic acid
- BB 0219064
- EN300-41498
- 5-(2-Methylphenyl)-1H-pyrazole-3-carboxylic acid
- 890621-41-7
- AKOS000265794
- DB-195951
- BBL008322
- ALBB-018305
- 1H-pyrazole-5-carboxylic acid, 3-(2-methylphenyl)-
- STK392471
-
- Inchi： 1S/C11H10N2O2/c1-7-4-2-3-5-8(7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
- InChI Key： BHLFDODDOGJUGN-UHFFFAOYSA-N
- SMILES： OC(C1=CC(C2C=CC=CC=2C)=NN1)=O
Computed Properties
- Exact Mass: 202.074
- Monoisotopic Mass: 202.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 245
- 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: 2.1
- Topological Polar Surface Area: 66?2
Experimental Properties
- Density: 1.304±0.06 g/cm3 (20 oC 760 Torr)
- LogP: 2.08330
1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHENG KE LU SI SHENG WU JI SHU | sc-318985-500 mg |
5-o-Tolyl-2H-pyrazole-3-carboxylic acid, |
890621-41-7 | 500MG |
￥2,143.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-318985-500mg |
5-o-Tolyl-2H-pyrazole-3-carboxylic acid, |
890621-41-7 | 500mg |
￥2143.00 | 2023-09-05 | ||
| A2B Chem LLC | AB87759-500mg |
1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)- |
890621-41-7 | >95% | 500mg |
$412.00 | 2024-04-19 | |
| A2B Chem LLC | AB87759-1g |
1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)- |
890621-41-7 | >95% | 1g |
$439.00 | 2024-04-19 | |
| A2B Chem LLC | AB87759-5g |
1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)- |
890621-41-7 | >95% | 5g |
$787.00 | 2024-04-19 | |
| A2B Chem LLC | AB87759-10g |
1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)- |
890621-41-7 | >95% | 10g |
$1134.00 | 2024-04-19 |
1H-Pyrazole-5-carboxylicacid, 3-(2-methylphenyl)- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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