Cas no 77169-11-0 (3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid)
3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid is a heterocyclic carboxylic acid derivative with a pyrazole core, widely utilized as a key intermediate in pharmaceutical and agrochemical synthesis. Its structural features, including the phenyl and methyl substituents, enhance its reactivity and versatility in organic transformations, particularly in the formation of amides, esters, and other functionalized derivatives. The compound exhibits stability under standard conditions, facilitating handling and storage. Its well-defined molecular structure makes it valuable for applications in medicinal chemistry, such as the development of bioactive molecules and enzyme inhibitors. High purity grades are available to meet rigorous research and industrial requirements.
77169-11-0 structure
Product Name:3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
CAS No:77169-11-0
MF:C11H10N2O2
MW:202.209302425385
MDL:MFCD01415214
CID:549105
PubChem ID:5230056
Update Time:2025-06-09
3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylicacid, 3-methyl-1-phenyl-
- 3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
- Pyrazole-4-carboxylicacid, 3-methyl-1-phenyl- (6CI)
- AKOS009112430
- SCHEMBL4298023
- DTXSID60411719
- F2169-0609
- MFCD01415214
- CS-0058334
- XSSINBQIDAICII-UHFFFAOYSA-N
- 3-methyl-1-phenylpyrazole-4-carboxylic acid
- Z228581550
- 3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid, AldrichCPR
- EN300-65276
- 1-Phenyl-3-methylpyrazole-4-carboxylic acid
- 77169-11-0
- D87007
- BS-14028
- AG-613/36963009
- DB-105662
- 3-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLICACID
- 3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid
-
- MDL： MFCD01415214
- Inchi： 1S/C11H10N2O2/c1-8-10(11(14)15)7-13(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
- InChI Key： XSSINBQIDAICII-UHFFFAOYSA-N
- SMILES： OC(C1=CN(C2C=CC=CC=2)N=C1C)=O
Computed Properties
- Exact Mass: 202.0743
- Monoisotopic Mass: 202.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 239
- 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: 1.8
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM332365-100mg |
3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
77169-11-0 | 95%+ | 100mg |
$234 | 2021-06-16 | |
| Chemenu | CM332365-250mg |
3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
77169-11-0 | 95%+ | 250mg |
$420 | 2021-06-16 | |
| Chemenu | CM332365-1g |
3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
77169-11-0 | 95%+ | 1g |
$720 | 2021-06-16 | |
| TRC | M357578-25mg |
3-methyl-1-phenyl-1H-pyrazole-4-carboxylic Acid |
77169-11-0 | 25mg |
$ 50.00 | 2022-06-03 | ||
| TRC | M357578-50mg |
3-methyl-1-phenyl-1H-pyrazole-4-carboxylic Acid |
77169-11-0 | 50mg |
$ 70.00 | 2022-06-03 | ||
| TRC | M357578-250mg |
3-methyl-1-phenyl-1H-pyrazole-4-carboxylic Acid |
77169-11-0 | 250mg |
$ 250.00 | 2022-06-03 | ||
| Chemenu | CM332365-1g |
3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
77169-11-0 | 95%+ | 1g |
$293 | 2023-02-01 | |
| abcr | AB201187-500 mg |
3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid; . |
77169-11-0 | 500mg |
€39.30 | 2023-05-07 | ||
| eNovation Chemicals LLC | D632265-1g |
3-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
77169-11-0 | 95% | 1g |
$495 | 2024-06-03 | |
| Enamine | EN300-65276-0.05g |
3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid |
77169-11-0 | 95.0% | 0.05g |
$63.0 | 2025-02-20 |
3-methyl-1-phenyl-1H-pyrazole-4-carboxylic acid Related Literature
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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