645236 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 16 9 9 9 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 5 6 7 7 7 8 8 9 10 10 10 11 12 12 13 13 14 14 15 16 19 20 20 20 21 22 22 23 23 24 24 25 26 26 27 19 25 18 18 18 21 27 17 9 11 12 11 14 16 17 20 32 13 15 18 16 17 15 19 28 29 22 21 30 31 24 23 33 25 35 26 34 36 27 37 38 1 1 1 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 2.6691 5.3147 4.3147 6.3147 10.1136 6.7698 6.1808 5.3147 7.127 8.4161 6.1808 5.3147 7.127 4.4487 4.4487 7.7106 7.4376 5.3147 3.5827 8.7268 9.7053 3.4782 2.5 10.4473 2 11.3142 11.108 3.9118 8.3306 8.7062 8.113 8.8302 3.9389 10.3814 2.2478 1.3834 11.8801 11.5236 0.0777 -3.5155 -2.5155 -2.5155 3.5155 1.984 -1.0155 0.4845 -1.3203 1.446 -0.0155 -1.5155 0.2892 -0.0155 -1.0155 -0.5155 1.2397 -2.5155 0.4845 2.3965 2.6027 1.479 1.6869 1.9323 0.8209 2.4308 3.4093 -1.3255 -0.5155 3.0161 2.4838 0.9845 1.8939 1.3158 2.2533 0.7561 2.1776 3.8693 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 7 7 7 8 8 9 11 12 13 14 19 21 22 23 24 26 19 25 21 27 9 11 12 11 14 16 13 15 16 15 22 24 23 25 26 27 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 553 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BB1804000000000000000000000000001624480002C000000000000005801FE00001F04180000000C0CE5DF16BDB59EC81448AE03BF77F400938CAB25AAB05D98B9BE6CD88E2EFAE4FDFB87BDA8ECCE13F8E9E79891820000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-furfuryl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H11F3N4O2S/c18-17(19,20)14-7-12(13-4-2-6-27-13)23-15-11(9-22-24(14)15)16(25)21-8-10-3-1-5-26-10/h1-7,9H,8H2,(H,21,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YZMQIVNKDMOERB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.05548127 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H11F3N4O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=COC(=C1)CNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=COC(=C1)CNC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 101 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 392.05548127 27 0 0 0 0 0 0 0 1 -1