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5-(naphthalen-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

5-(naphthalen-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

CAS: 865424-05-1

Formula: C18H9ClF3N3O

SMILES: FC(F)(F)C1=CC(=NC2=C(C=NN12)C(Cl)=O)C1=CC=CC2=CC=CC=C12

IUPAC: 5-(naphthalen-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl chloride

InChI: InChI=1S/C18H9ClF3N3O/c19-16(26)13-9-23-25-15(18(20,21)22)8-14(24-17(13)25)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H

Composition: C (57.54%), H (2.41%), Cl (9.43%), F (15.17%), N (11.18%), O (4.26%)

Molar Mass: 375.74

Atom Count: 35

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 375.0386241
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey KZUGOAZNENCWQC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 101.95
Topological Polar Surface Area 47.26
Polarizability 35.57
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 865424-05-1 $65.00$65.00
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