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6-amino-3-tert-butyl-4-(2,4-dimethoxyphenyl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-tert-butyl-4-(2,4-dimethoxyphenyl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Formula: C19H22N4O3

SMILES: COC1=CC=C(C2C3=C(NN=C3OC(N)=C2C#N)C(C)(C)C)C(OC)=C1

IUPAC: 6-amino-3-tert-butyl-4-(2,4-dimethoxyphenyl)-2H,4H-pyrano[2,3-c]pyrazole-5-carbonitrile

InChI: InChI=1/C19H22N4O3/c1-19(2,3)16-15-14(11-7-6-10(24-4)8-13(11)25-5)12(9-20)17(21)26-18(15)23-22-16/h6-8,14H,21H2,1-5H3,(H,22,23)

Composition: C (64.39%), H (6.26%), N (15.81%), O (13.54%)

Molar Mass: 354.41

Atom Count: 48

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 354.169190584
Formal Charge 0
FSP3 0.37
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey XWXMVZOYCQWCDF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.55
Topological Polar Surface Area 106.18
Polarizability 37.11
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H22N4O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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