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7-[2-(4-methoxyphenyl)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-[2-(4-methoxyphenyl)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS: 338394-45-9

Formula: C16H12N4O

SMILES: COC1=CC=C(C=CC2=CC=NC3=C(C=NN23)C#N)C=C1

IUPAC: 7-[2-(4-methoxyphenyl)ethenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

InChI: InChI=1S/C16H12N4O/c1-21-15-6-3-12(4-7-15)2-5-14-8-9-18-16-13(10-17)11-19-20(14)16/h2-9,11H,1H3

Composition: C (69.55%), H (4.38%), N (20.28%), O (5.79%)

Molar Mass: 276.299

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 276.101111022
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey UREZKDMCGZKCHE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.29
Topological Polar Surface Area 63.21
Polarizability 29.77
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 338394-45-9 $51.35-$524.40$51.35$63.37$86.31$524.40
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