49795432 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 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 6 6 6 6 7 7 8 8 9 9 9 10 10 10 11 12 12 13 14 15 15 16 8 28 7 11 27 11 13 5 13 14 16 7 8 9 10 17 18 19 20 21 22 23 24 25 26 12 14 29 15 30 16 31 32 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 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 2.5369 6.001 7.7331 8.5991 9.5453 4.269 5.135 3.403 3.769 4.769 6.8671 6.8671 8.5991 7.7331 9.5453 10.1289 4.7365 5.5335 3.8015 3.0044 3.232 3.459 4.3059 5.3059 5.079 4.232 6.001 2 6.3301 7.7331 9.7379 10.7489 0.567 0.567 0.567 -0.933 -1.2377 0.567 0.067 1.067 -0.299 1.433 0.067 -0.933 0.067 -1.433 0.3717 -0.433 -0.408 -0.408 1.5419 1.5419 0.011 -0.836 -0.609 1.123 1.97 1.743 1.187 0.877 -1.243 -2.053 0.961 -0.433 8 8 8 8 8 8 8 8 8 8 3 3 4 4 4 5 11 12 13 15 11 13 5 13 14 16 12 14 15 16 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 234 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371E073A0000000000000000000000000000001600000002C000000000000005801E000001E00180800000E00E193063FB09EC81200A2003267640090842B1182A01D50A03864108018C040484004C4080A1802C000200000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,2-dimethyl-3-(5-pyrazolo[1,5-a]pyrimidinylamino)-1-propanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,2-dimethyl-3-(pyrazolo[1,5-a]pyrimidin-5-ylamino)propan-1-ol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C11H16N4O/c1-11(2,8-16)7-12-9-4-6-15-10(14-9)3-5-13-15/h3-6,16H,7-8H2,1-2H3,(H,12,14) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CCKDTCGKFUNJDW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 220.13241115 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C11H16N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 220.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(CNC1=NC2=CC=NN2C=C1)CO SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(CNC1=NC2=CC=NN2C=C1)CO Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 62.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 220.13241115 16 0 0 0 0 0 0 0 1 -1