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5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

CAS: 861233-52-5

Formula: C14H14F3N3O

SMILES: COC1=CC=C(C=C1)C1CC(N2N=CC=C2N1)C(F)(F)F

IUPAC: 5-(4-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine

InChI: InChI=1/C14H14F3N3O/c1-21-10-4-2-9(3-5-10)11-8-12(14(15,16)17)20-13(19-11)6-7-18-20/h2-7,11-12,19H,8H2,1H3

Composition: C (56.56%), H (4.75%), F (19.17%), N (14.14%), O (5.38%)

Molar Mass: 297.281

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 297.108896572
Formal Charge 0
FSP3 0.36
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CVFFHRZXJOMAKL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 83.17
Topological Polar Surface Area 39.08
Polarizability 26.26
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 861233-52-5 $65.00$65.00
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