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ethyl 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

CAS: 438219-16-0

Formula: C16H13F2N3O2

SMILES: CCOC(=O)C1=C2N=C(C=C(C(F)F)N2N=C1)C1=CC=CC=C1

IUPAC: ethyl 7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

InChI: InChI=1S/C16H13F2N3O2/c1-2-23-16(22)11-9-19-21-13(14(17)18)8-12(20-15(11)21)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3

Composition: C (60.57%), H (4.13%), F (11.98%), N (13.24%), O (10.08%)

Molar Mass: 317.296

Atom Count: 36

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 317.097582997
Formal Charge 0
FSP3 0.19
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AZESOZJHNZZYFW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.27
Topological Polar Surface Area 56.49
Polarizability 30.88
Ring Count 3
Rotatable Bond Count 5

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