Cas no 1006348-45-3 (3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanenitrile)

3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanenitrile is a fluorinated pyrazole derivative with notable applications in pharmaceutical and agrochemical research. Its structure incorporates a trifluoromethyl group, enhancing metabolic stability and lipophilicity, which is advantageous in drug design. The nitrile functionality provides versatility for further chemical modifications, making it a valuable intermediate in synthetic chemistry. The compound's pyrazole core contributes to its potential as a bioactive scaffold, particularly in the development of enzyme inhibitors or receptor modulators. Its well-defined molecular architecture ensures consistent reactivity, supporting its use in high-precision organic synthesis. This compound is particularly suited for applications requiring robust fluorinated building blocks with tailored physicochemical properties.

3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanenitrile structure

1006348-45-3 structure

Product Name:3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanenitrile

CAS No:1006348-45-3

MF:C₉H₁₀F₃N₃

MW:217.19101190567

MDL:MFCD06739386

CID:1127042

PubChem ID:19616510

Update Time:2025-05-28

3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanenitrile Chemical and Physical Properties

Names and Identifiers

- 3-[5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl]butanenitrile
- 3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanenitrile
- BBL040469
- 3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butanenitrile
- 3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)butanenitrile
- 1006348-45-3
- 3-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-butyronitrile
- CS-0275738
- AKOS000313095
- EN300-230431
- STK350506
- MDL： MFCD06739386
- Inchi： 1S/C9H10F3N3/c1-6(3-4-13)15-7(2)5-8(14-15)9(10,11)12/h5-6H,3H2,1-2H3
- InChI Key： OTYVAIHIHBTAHM-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C)N(C(C)CC#N)N=1)(F)F

Computed Properties

Exact Mass: 217.08268182g/mol
Monoisotopic Mass: 217.08268182g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 15
Rotatable Bond Count: 3
Complexity: 268
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
XLogP3: 1.6
Topological Polar Surface Area: 41.6?2

3-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-ylbutanenitrile Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
Fluorochem	025479-250mg	3-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-butyronitrile	1006348-45-3		250mg	￡144.00	2022-03-01
Fluorochem	025479-1g	3-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-butyronitrile	1006348-45-3		1g	￡287.00	2022-03-01
Fluorochem	025479-5g	3-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-butyronitrile	1006348-45-3		5g	￡782.00	2022-03-01
Chemenu	CM314627-1g	3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)butanenitrile	1006348-45-3	95%	1g	$582	2021-08-18
Apollo Scientific	PC410407-1g	3-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanenitrile	1006348-45-3		1g	￡355.00	2025-02-21
Chemenu	CM314627-1g	3-(5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)butanenitrile	1006348-45-3	95%	1g	$582	2023-02-03
Enamine	EN300-230431-1g	3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanenitrile	1006348-45-3		1g	$381.0	2023-09-15
Enamine	EN300-230431-5g	3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanenitrile	1006348-45-3		5g	$1038.0	2023-09-15
Enamine	EN300-230431-10g	3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanenitrile	1006348-45-3		10g	$1860.0	2023-09-15
Enamine	EN300-230431-0.05g	3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanenitrile	1006348-45-3	95%	0.05g	$89.0	2024-06-20