Cas no 1005586-13-9 (2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylpropanoic acid)
2,3,5-Bis(difluoromethyl)-1H-pyrazol-1-ylpropanoic acid is a fluorinated pyrazole derivative with potential applications in agrochemical and pharmaceutical research. Its structure features two difluoromethyl groups at the 3- and 5-positions of the pyrazole ring, enhancing its lipophilicity and metabolic stability. The propanoic acid moiety improves solubility and allows for further functionalization. This compound is of interest due to its unique electronic properties imparted by the fluorine atoms, which can influence binding affinity and bioavailability. It may serve as a key intermediate in the synthesis of biologically active molecules, particularly in the development of fungicides or enzyme inhibitors. The difluoromethyl groups also contribute to its potential as a bioisostere for other functional groups in medicinal chemistry.
1005586-13-9 structure
Product Name:2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylpropanoic acid
CAS No:1005586-13-9
MF:C8H8F4N2O2
MW:240.154935836792
MDL:MFCD03419715
CID:1126961
PubChem ID:17024830
Update Time:2025-07-02
2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylpropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[3,5-bis(difluoromethyl)-1h-pyrazol-1-yl]propanoic Acid
- 2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylpropanoic acid
- 2-(3,5-bis-difluoromethyl-pyrazol-1-yl)-propionic acid, AldrichCPR
- C8H8F4N2O2
- CS-0262733
- AKOS000308232
- 1005586-13-9
- 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
- EN300-83603
- STK313222
- 2-(3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl)propanoic acid
- BBL039252
- MFCD03419715
-
- MDL： MFCD03419715
- Inchi： 1S/C8H8F4N2O2/c1-3(8(15)16)14-5(7(11)12)2-4(13-14)6(9)10/h2-3,6-7H,1H3,(H,15,16)
- InChI Key： NELRRJQUCQJLEC-UHFFFAOYSA-N
- SMILES： FC(C1=CC(C(F)F)=NN1C(C(=O)O)C)F
Computed Properties
- Exact Mass: 240.05219g/mol
- Monoisotopic Mass: 240.05219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 240.15g/mol
- XLogP3: 1.6
- Topological Polar Surface Area: 55.1?2
2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylpropanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 028094-1g |
2-(3,5-Bis-difluoromethyl-pyrazol-1-yl)-propionic acid |
1005586-13-9 | 1g |
￡391.00 | 2022-03-01 | ||
| Fluorochem | 028094-5g |
2-(3,5-Bis-difluoromethyl-pyrazol-1-yl)-propionic acid |
1005586-13-9 | 5g |
￡1182.00 | 2022-03-01 | ||
| Apollo Scientific | PC410344-1g |
2-[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
1005586-13-9 | 1g |
￡445.00 | 2024-08-02 | ||
| Enamine | EN300-83603-0.05g |
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
1005586-13-9 | 95% | 0.05g |
$235.0 | 2023-09-02 | |
| Enamine | EN300-83603-0.1g |
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
1005586-13-9 | 95% | 0.1g |
$351.0 | 2023-09-02 | |
| Enamine | EN300-83603-0.25g |
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
1005586-13-9 | 95% | 0.25g |
$501.0 | 2023-09-02 | |
| Enamine | EN300-83603-0.5g |
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
1005586-13-9 | 95% | 0.5g |
$789.0 | 2023-09-02 | |
| Enamine | EN300-83603-1.0g |
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
1005586-13-9 | 95% | 1.0g |
$1011.0 | 2023-02-11 | |
| Enamine | EN300-83603-2.5g |
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
1005586-13-9 | 95% | 2.5g |
$1499.0 | 2023-09-02 | |
| Enamine | EN300-83603-5.0g |
2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]propanoic acid |
1005586-13-9 | 95% | 5.0g |
$2314.0 | 2023-02-11 |
2-3,5-bis(difluoromethyl)-1H-pyrazol-1-ylpropanoic acid Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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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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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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