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3',5'-dimethyl-1'-phenyl-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-[3,4'-bipyrazole]-5-carbohydrazide

3',5'-dimethyl-1'-phenyl-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H-[3,4'-bipyrazole]-5-carbohydrazide

Formula: C21H20N6OS

SMILES: CC(=N/NC(=O)C1=CC(=NN1)C1=C(C)N(N=C1C)C1=CC=CC=C1)C1=CC=CS1

IUPAC: 3',5'-dimethyl-1'-phenyl-N'-[(1E)-1-(thiophen-2-yl)ethylidene]-1H,1'H-[3,4'-bipyrazole]-5-carbohydrazide

InChI: InChI=1S/C21H20N6OS/c1-13(19-10-7-11-29-19)22-25-21(28)18-12-17(23-24-18)20-14(2)26-27(15(20)3)16-8-5-4-6-9-16/h4-12H,1-3H3,(H,23,24)(H,25,28)/b22-13+

Composition: C (62.36%), H (4.98%), N (20.78%), O (3.96%), S (7.93%)

Molar Mass: 404.49

Atom Count: 49

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 404.141930462
Formal Charge 0
FSP3 0.14
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey GKDUWDKJIRVFBQ-LPYMAVHISA-N
Lipinski's Rule of Five 1
Molar Refractivity 115.38
Topological Polar Surface Area 87.96
Polarizability 44.18
Ring Count 4
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H20N6OS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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