11636795 1 2 3 4 5 6 7 8 9 10 11 12 13 14 7 7 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 3 4 5 5 6 6 7 8 8 9 2 4 6 7 4 9 5 7 10 8 11 12 9 13 14 1 1 1 2 1 2 2 1 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 3.732 4.6783 2.866 3.732 4.6783 2.866 5.2619 2 2 4.8709 2.866 5.8819 1.4631 1.4631 -0.5 -0.8047 1 0.5 0.8047 -1 0 -0.5 0.5 1.394 -1.62 0 -0.81 0.81 8 8 8 8 8 8 8 8 8 8 1 1 1 2 3 3 4 5 6 8 2 4 6 7 4 9 5 7 8 9 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 105 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371806300000000000000000000000000000001600000002C000000000000005801E000001C00080000000800C113043DB09E081000A2003267640090842B1182A01D50203864108008C0404940048408080802C000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 pyrazolo[1,5-a]pyrimidine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 pyrazolo[1,5-a]pyrimidine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 pyrazolo[1,5-a]pyrimidine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 pyrazolo[1,5-a]pyrimidine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 pyrazolo[1,5-a]pyrimidine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 pyrazolo[1,5-a]pyrimidine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C6H5N3/c1-3-7-6-2-4-8-9(6)5-1/h1-5H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LDIJKUBTLZTFRG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 119.048347172 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C6H5N3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 119.12 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CN2C(=CC=N2)N=C1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CN2C(=CC=N2)N=C1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 30.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 119.048347172 9 0 0 0 0 0 0 0 1 -1