Cas no 1087163-13-0 ((3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol)
(3-tert-Butyl-1-methyl-1H-pyrazol-5-yl)methanol is a pyrazole-based intermediate with applications in pharmaceutical and agrochemical synthesis. Its key structural features include a tert-butyl group at the 3-position and a hydroxymethyl substituent at the 5-position, enhancing steric and electronic properties for selective reactivity. The compound is valued for its stability under standard conditions and compatibility with further functionalization, such as oxidation or esterification. Its rigid pyrazole core contributes to precise molecular interactions in ligand design. Suitable for use in heterocyclic chemistry, it serves as a versatile building block for developing bioactive compounds, including enzyme inhibitors or coordination complexes. High purity grades are available for research and industrial-scale applications.
1087163-13-0 structure
Product Name:(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol
CAS No:1087163-13-0
MF:C9H16N2O
MW:168.236142158508
CID:2679160
PubChem ID:89274713
Update Time:2025-06-07
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol Chemical and Physical Properties
Names and Identifiers
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- (3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol
- (5-Tert-butyl-2-methylpyrazol-3-yl)methanol
-
- Inchi: 1S/C9H16N2O/c1-9(2,3)8-5-7(6-12)11(4)10-8/h5,12H,6H2,1-4H3
- InChI Key: GMKBXOAFFZTCMA-UHFFFAOYSA-N
- SMILES: OCC1=CC(C(C)(C)C)=NN1C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 153
- Topological Polar Surface Area: 38
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1835803-1g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 1g |
$770.0 | 2023-09-19 | ||
| Enamine | EN300-1835803-5g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 5g |
$2235.0 | 2023-09-19 | ||
| Enamine | EN300-1835803-10g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 10g |
$3315.0 | 2023-09-19 | ||
| Enamine | EN300-1835803-0.05g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 0.05g |
$647.0 | 2023-09-19 | ||
| Enamine | EN300-1835803-0.1g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 0.1g |
$678.0 | 2023-09-19 | ||
| Enamine | EN300-1835803-0.25g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 0.25g |
$708.0 | 2023-09-19 | ||
| Enamine | EN300-1835803-0.5g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 0.5g |
$739.0 | 2023-09-19 | ||
| Enamine | EN300-1835803-1.0g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 1g |
$943.0 | 2023-06-03 | ||
| Enamine | EN300-1835803-2.5g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 2.5g |
$1509.0 | 2023-09-19 | ||
| Enamine | EN300-1835803-5.0g |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol |
1087163-13-0 | 5g |
$2732.0 | 2023-06-03 |
(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)methanol Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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