5-Thiophen-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5- a ]pyrimidine-3-carboxylic acid ethyl ester
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Product Code | F027171 |
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Product Name | 5-Thiophen-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5- a ]pyrimidine-3-carboxylic acid ethyl ester |
CAS | 827592-52-9 |
Molecular weight | 345.34 |
IUPAC Name | ethyl 5-(thiophen-2-yl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate |
SMILES | CCOC(=O)C1=C2NC(CC(N2N=C1)C(F)(F)F)C1=CC=CS1 |
INCHI Code | InChI=1/C14H14F3N3O2S/c1-2-22-13(21)8-7-18-20-11(14(15,16)17)6-9(19-12(8)20)10-4-3-5-23-10/h3-5,7,9,11,19H,2,6H2,1H3 |
Asymmetric atoms | 2 |
LogP | 3.5738795 |
H bond acceptors | 3 |
H bond donors | 1 |
fsp3 | 0.42857143 |
Concept Codes | Ester, Heterocycle, Heteroaromatic, Secondary amine, Amine (P+S+T), Sulfide, Fluoro, Halo, Trifluoromethyl, Amino acid ester, 5-Membered heteroaromatic, 5-Membered heterocycle, 6-Membered heterocycle, Thiophene, Cyclic, Aromatic, Pyrazolo[1,5-a]pyrimidine, PFA01, PFA02 |