Cas no 167408-64-2 (methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate)
Methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate is a pyrazole-based ester compound with notable applications in pharmaceutical and agrochemical research. Its structure features a cyclopropyl substituent at the 3-position and a methyl ester group at the 5-position, contributing to its reactivity and versatility as an intermediate. The compound is valued for its stability and potential as a building block in heterocyclic synthesis. Its well-defined molecular framework allows for selective modifications, making it useful in the development of bioactive molecules. High purity and consistent quality are critical for its performance in synthetic routes, particularly in medicinal chemistry where precision is essential.
167408-64-2 structure
Product Name:methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate
CAS No:167408-64-2
MF:C9H12N2O2
MW:180.203782081604
CID:2116607
PubChem ID:25247478
Update Time:2025-06-08
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate
- SCHEMBL15273648
- 167408-64-2
- Methyl3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate
- STK351686
- methyl 5-cyclopropyl-2-methylpyrazole-3-carboxylate
- DTXSID601204350
- methyl 5-cyclopropyl-2-methyl-pyrazole-3-carboxylate
- AKOS005167677
- DA-32693
- EN300-115795
- CS-0300543
- G74721
-
- MDL: MFCD09473429
- Inchi: 1S/C9H12N2O2/c1-11-8(9(12)13-2)5-7(10-11)6-3-4-6/h5-6H,3-4H2,1-2H3
- InChI Key: LBWVZCAGCATZMW-UHFFFAOYSA-N
- SMILES: O(C)C(C1=CC(C2CC2)=NN1C)=O
Computed Properties
- Exact Mass: 180.089877630g/mol
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 216
- 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
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- Color/Form: NA
- Density: 1.3±0.1 g/cm3
- Boiling Point: 301.3±30.0 °C at 760 mmHg
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Storage at -4 ℃ (6-12weeks), long storage period at -20 ℃ (1-2years), transport at 0 ℃
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM507651-1g |
Methyl3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 97% | 1g |
$225 | 2022-06-12 | |
| Alichem | A049002914-5g |
Methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 97% | 5g |
$842.70 | 2022-04-02 | |
| Alichem | A049002914-10g |
Methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 97% | 10g |
$1,294.95 | 2022-04-02 | |
| Alichem | A049002914-25g |
Methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 97% | 25g |
$2,015.52 | 2022-04-02 | |
| Enamine | EN300-115795-0.05g |
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 0.05g |
$88.0 | 2023-06-09 | ||
| Enamine | EN300-115795-0.1g |
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 0.1g |
$132.0 | 2023-06-09 | ||
| Enamine | EN300-115795-0.25g |
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 0.25g |
$188.0 | 2023-06-09 | ||
| Enamine | EN300-115795-0.5g |
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 0.5g |
$353.0 | 2023-06-09 | ||
| Enamine | EN300-115795-1.0g |
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 1g |
$470.0 | 2023-06-09 | ||
| Enamine | EN300-115795-2.5g |
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate |
167408-64-2 | 2.5g |
$923.0 | 2023-06-09 |
methyl 3-cyclopropyl-1-methyl-1H-pyrazole-5-carboxylate Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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