Cas no 6647-95-6 (4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID)
4-Iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid is a heterocyclic compound featuring a pyrazole core substituted with an iodine atom at the 4-position and a carboxylic acid group at the 3-position. This structure makes it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and functional materials. The presence of both an iodine substituent and a carboxylic acid group enhances its reactivity, enabling diverse derivatization pathways, such as cross-coupling reactions or further functionalization. Its high purity and stability under standard conditions ensure consistent performance in synthetic applications. The compound is commonly utilized in medicinal chemistry for the development of biologically active molecules.
6647-95-6 structure
Product Name:4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
CAS No:6647-95-6
MF:C6H7IN2O2
MW:266.036453485489
CID:4656436
PubChem ID:62269416
Update Time:2025-10-17
4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Chemical and Physical Properties
Names and Identifiers
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- 4-Iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid
- 1H-Pyrazole-3-carboxylic acid, 4-iodo-1,5-dimethyl-
- 4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
-
- Inchi: 1S/C6H7IN2O2/c1-3-4(7)5(6(10)11)8-9(3)2/h1-2H3,(H,10,11)
- InChI Key: LLKCKWLAENNHOZ-UHFFFAOYSA-N
- SMILES: N1(C)C(C)=C(I)C(C(O)=O)=N1
Computed Properties
- Exact Mass: 265.95523g/mol
- Monoisotopic Mass: 265.95523g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 1.1
- Topological Polar Surface Area: 55.1?2
4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1256762-0.05g |
4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
6647-95-6 | 95% | 0.05g |
$94.0 | 2023-07-08 | |
| Enamine | EN300-1256762-0.1g |
4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
6647-95-6 | 95% | 0.1g |
$140.0 | 2023-07-08 | |
| Enamine | EN300-1256762-0.25g |
4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
6647-95-6 | 95% | 0.25g |
$200.0 | 2023-07-08 | |
| Enamine | EN300-1256762-0.5g |
4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
6647-95-6 | 95% | 0.5g |
$374.0 | 2023-07-08 | |
| Enamine | EN300-1256762-1.0g |
4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
6647-95-6 | 95% | 1.0g |
$499.0 | 2023-07-08 | |
| Enamine | EN300-1256762-2.5g |
4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
6647-95-6 | 95% | 2.5g |
$978.0 | 2023-07-08 | |
| Enamine | EN300-1256762-5.0g |
4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
6647-95-6 | 95% | 5.0g |
$1448.0 | 2023-07-08 | |
| Enamine | EN300-1256762-10.0g |
4-iodo-1,5-dimethyl-1H-pyrazole-3-carboxylic acid |
6647-95-6 | 95% | 10.0g |
$2146.0 | 2023-07-08 | |
| 1PlusChem | 1P01DX1M-50mg |
4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID |
6647-95-6 | 95% | 50mg |
$173.00 | 2024-04-22 | |
| 1PlusChem | 1P01DX1M-100mg |
4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID |
6647-95-6 | 95% | 100mg |
$228.00 | 2024-04-22 |
4-IODO-1,5-DIMETHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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