Cas no 517870-29-0 (methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate)
Methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate is a versatile pyrazole-based ester compound with significant applications in pharmaceutical and agrochemical research. Its structure features a carboxylate ester group at the 5-position and a 2-methylpropyl substituent at the 3-position of the pyrazole ring, enhancing its reactivity and potential as a synthetic intermediate. This compound exhibits favorable stability under standard conditions and demonstrates compatibility with various organic transformations, making it valuable for the synthesis of heterocyclic derivatives. Its well-defined molecular framework allows for precise modifications, facilitating the development of bioactive molecules. The compound's purity and consistent performance make it a reliable choice for medicinal chemistry and material science applications.
517870-29-0 structure
Product Name:methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate
CAS No:517870-29-0
MF:C9H14N2O2
MW:182.219662189484
MDL:MFCD20231535
CID:829594
PubChem ID:4385695
Update Time:2025-07-02
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-isobutyl-1H-pyrazole-5-carboxylate
- methyl 5-(2-methylpropyl)-1H-pyrazole-3-carboxylate
- methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate
- EN300-8173409
- AKOS015997321
- methyl3-isobutyl-1H-pyrazole-5-carboxylate
- VS-11832
- DB-014867
- STL373196
- D86228
- 517870-29-0
- DTXSID50402712
- BBL033125
-
- MDL： MFCD20231535
- Inchi： 1S/C9H14N2O2/c1-6(2)4-7-5-8(11-10-7)9(12)13-3/h5-6H,4H2,1-3H3,(H,10,11)
- InChI Key： IVPIXBYEPVQRDR-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=C(CC(C)C)NN=1)=O
Computed Properties
- Exact Mass: 182.105527694g/mol
- Monoisotopic Mass: 182.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 183
- 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
- Topological Polar Surface Area: 55?2
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A049003252-1g |
Methyl 3-isobutyl-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 1g |
$359.04 | 2023-09-01 | |
| Chemenu | CM187833-1g |
methyl 3-isobutyl-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 1g |
$408 | 2021-08-05 | |
| Chemenu | CM187833-1g |
methyl 3-isobutyl-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 1g |
$174 | 2023-02-02 | |
| Enamine | EN300-30865363-0.05g |
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 0.05g |
$23.0 | 2023-09-02 | |
| Enamine | EN300-30865363-0.1g |
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 0.1g |
$32.0 | 2023-09-02 | |
| Enamine | EN300-30865363-0.25g |
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 0.25g |
$42.0 | 2023-09-02 | |
| Enamine | EN300-30865363-0.5g |
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 0.5g |
$74.0 | 2023-09-02 | |
| Enamine | EN300-30865363-1g |
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 1g |
$98.0 | 2023-09-02 | |
| Enamine | EN300-30865363-2.5g |
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 2.5g |
$198.0 | 2023-09-02 | |
| Enamine | EN300-30865363-5g |
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate |
517870-29-0 | 95% | 5g |
$326.0 | 2023-09-02 |
methyl 3-(2-methylpropyl)-1H-pyrazole-5-carboxylate Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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