Text Search
Structure Search

1'-isopropyl-3',5'-dimethyl-2H-[3,4'-bipyrazole]-5-carboxylic acid

1'-isopropyl-3',5'-dimethyl-2H-[3,4'-bipyrazole]-5-carboxylic acid

CAS: 1044275-20-8

Formula: C12H16N4O2

SMILES: CC(C)N1N=C(C)C(=C1C)C1=CC(=NN1)C(O)=O

IUPAC: 3',5'-dimethyl-1'-(propan-2-yl)-1'H,2H-[3,4'-bipyrazole]-5-carboxylic acid

InChI: InChI=1S/C12H16N4O2/c1-6(2)16-8(4)11(7(3)15-16)9-5-10(12(17)18)14-13-9/h5-6H,1-4H3,(H,13,14)(H,17,18)

Composition: C (58.05%), H (6.50%), N (22.57%), O (12.89%)

Molar Mass: 248.286

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.127325771
Formal Charge 0
FSP3 0.42
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YLRUIZVZRUFWDV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.46
Topological Polar Surface Area 83.8
Polarizability 26.21
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1044275-20-8 $404.27$404.27
Request Quote