3-[1',3'-dimethyl-5-(trifluoromethyl)-[3,4'-bipyrazol]-1-yl]propanenitrile

3-[1',3'-dimethyl-5-(trifluoromethyl)-[3,4'-bipyrazol]-1-yl]propanenitrile

CAS: 1006340-86-8

Formula: C12H12F3N5

SMILES: CN1C=C(C(C)=N1)C1=NN(CCC#N)C(=C1)C(F)(F)F

IUPAC: 3-[1',3'-dimethyl-5-(trifluoromethyl)-1H,1'H-[3,4'-bipyrazol]-1-yl]propanenitrile

InChI: InChI=1S/C12H12F3N5/c1-8-9(7-19(2)17-8)10-6-11(12(13,14)15)20(18-10)5-3-4-16/h6-7H,3,5H2,1-2H3

Composition: C (50.88%), H (4.27%), F (20.12%), N (24.72%)

Molar Mass: 283.258

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	283.104479895
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	NNUQEOYJEVRJMC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.84
Topological Polar Surface Area	59.43
Polarizability	24.92
Ring Count	2
Rotatable Bond Count	4

Suppliers

Crea-Chim UAB

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1006340-86-8		$187.20$187.20