Cas no 346440-86-6 (1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester)
1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester is a pyrazole-based ester derivative with a nitrophenyl substituent, offering utility as an intermediate in organic synthesis and pharmaceutical research. Its structure combines a pyrazole core with electron-withdrawing (nitro) and electron-donating (methyl) groups, enabling tailored reactivity for heterocyclic modifications. The ethyl ester moiety enhances solubility in organic solvents, facilitating further functionalization. This compound is particularly valuable in the development of agrochemicals, medicinal chemistry, and ligand design due to its stable yet modifiable framework. Its well-defined molecular architecture ensures reproducibility in synthetic applications.
346440-86-6 structure
Product Name:1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester
CAS No:346440-86-6
MF:C14H15N3O4
MW:289.286603212357
CID:302645
PubChem ID:656969
Update Time:2025-06-06
1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester
- 3,5-DIMETHYL-1-(3-NITROPHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
- ethyl 3,5-dimethyl-1-(3-nitrophenyl)pyrazole-4-carboxylate
- PHOSPHODIESTERASE 4 INHIBITOR
- MSYGAHOHLUJIKV-UHFFFAOYSA-N
- 1y2k
- ethyl 3,5-dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylate
- 3,5-Dimethyl-1-(3-nitro-phenyl)-1H-pyrazole-4-carboxylic acid ethyl ester
- SCHEMBL2201643
- DTXSID70349675
- CHEMBL1230564
- Pyrazole carboxylic ester 21
- Q27093055
- BDBM14798
- 346440-86-6
- J-019689
- Phosphodiesterase 4
- AKOS040754989
- DB01959
- NS00068179
- 7DE
- NCGC00387777-01
- 1y2j
- DB-114471
-
- Inchi： 1S/C14H15N3O4/c1-4-21-14(18)13-9(2)15-16(10(13)3)11-6-5-7-12(8-11)17(19)20/h5-8H,4H2,1-3H3
- InChI Key： MSYGAHOHLUJIKV-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(C)=NN(C2C=CC=C(C=2)[N+](=O)[O-])C=1C)=O
Computed Properties
- Exact Mass: 289.10625597g/mol
- Monoisotopic Mass: 289.10625597g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 398
- 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: 2.7
- Topological Polar Surface Area: 89.9?2
Experimental Properties
- Sensitiveness: Light Sensitive
1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67512-1mg |
Phosphodiesterase 4 Inhibitor |
346440-86-6 | 98% | 1mg |
￥377.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67512-5mg |
Phosphodiesterase 4 Inhibitor |
346440-86-6 | 98% | 5mg |
￥1496.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67512-10mg |
Phosphodiesterase 4 Inhibitor |
346440-86-6 | 98% | 10mg |
￥2558.00 | 2022-04-26 | |
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajci67512-25mg |
Phosphodiesterase 4 Inhibitor |
346440-86-6 | 98% | 25mg |
￥5102.00 | 2022-04-26 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-204190-10 mg |
Phosphodiesterase 4 Inhibitor, |
346440-86-6 | ≥97% | 10mg |
￥2,106.00 | 2023-07-10 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-204190A-50 mg |
Phosphodiesterase 4 Inhibitor, |
346440-86-6 | ≥97% | 50mg |
￥9,777.00 | 2023-07-10 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-204190-10mg |
Phosphodiesterase 4 Inhibitor, |
346440-86-6 | ≥97% | 10mg |
￥2106.00 | 2023-09-05 | |
| SHENG KE LU SI SHENG WU JI SHU | sc-204190A-50mg |
Phosphodiesterase 4 Inhibitor, |
346440-86-6 | ≥97% | 50mg |
￥9777.00 | 2023-09-05 | |
| 1PlusChem | 1P007DMP-1mg |
1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester |
346440-86-6 | ≥98% | 1mg |
$72.00 | 2024-05-04 | |
| 1PlusChem | 1P007DMP-5mg |
1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester |
346440-86-6 | ≥98% | 5mg |
$112.00 | 2025-02-22 |
1H-Pyrazole-4-carboxylicacid, 3,5-dimethyl-1-(3-nitrophenyl)-, ethyl ester Related Literature
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1. Polycyclic polyprenylated acylphloroglucinols: natural phosphodiesterase-4 inhibitors from Hypericum sampsoniiJun-Sheng Zhang,Yi-Hong Zou,Yan-Qiong Guo,Zhen-Zhen Li,Gui-Hua Tang,Sheng Yin RSC Adv. 2016 6 53469
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Valentin S. Dorokhov,Ivan S. Golovanov,Vladimir A. Tartakovsky,Alexey Yu. Sukhorukov,Sema L. Ioffe Org. Biomol. Chem. 2018 16 6900
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Verónica Estévez,Mercedes Villacampa,J. Carlos Menéndez Chem. Soc. Rev. 2014 43 4633
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Stephen J. Walsh,Jonathan D. Bargh,Friederike M. Dannheim,Abigail R. Hanby,Hikaru Seki,Andrew J. Counsell,Xiaoxu Ou,Elaine Fowler,Nicola Ashman,Yuri Takada,Albert Isidro-Llobet,Jeremy S. Parker,Jason S. Carroll,David R. Spring Chem. Soc. Rev. 2021 50 1305
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Dana Ameen,Timothy J. Snape Med. Chem. Commun. 2013 4 893
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