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

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

CAS: 1006353-16-7

Formula: C11H10F3N5

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

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

InChI: InChI=1S/C11H10F3N5/c1-18-7-8(6-16-18)9-5-10(11(12,13)14)19(17-9)4-2-3-15/h5-7H,2,4H2,1H3

Composition: C (49.07%), H (3.74%), F (21.17%), N (26.01%)

Molar Mass: 269.231

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	269.088829831
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	BZQPZQPWTUGHFU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.24
Topological Polar Surface Area	59.43
Polarizability	23.19
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1006353-16-7		$254.80$254.80