About N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine (PubChem CID 165022123) has the molecular formula C116H128BBr2ClF15N29O14
and a molecular weight of 2643.53 g/mol. Its IUPAC name is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine.
Frequently Asked Questions
What is the IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine (CID 165022123) is N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine is CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.C[C@@H](N)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1.C[C@@H](Nc1ccnc2cc(Br)nn12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1.C[C@@H](Nc1ccnc2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)nn12)c1cc(N)cc(C(F)(F)F)c1.C[C@@H](Nc1ccnc2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)nn12)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1.C[C@@H](Nc1ccnc2cc(C3=CCNCC3)nn12)c1cc(N)cc(C(F)(F)F)c1.Clc1ccnc2cc(Br)nn12.
What is the InChIKey of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is LHXQGCDCWLBTBH-YSWQXRKYSA-N. The full InChI is InChI=1S/C25H27F3N6O4.C25H29F3N6O2.C20H21F3N6.C16H28BNO4.C15H11BrF3N5O2.C9H9F3N2O2.C6H3BrClN3/c1-15(17-11-18(25(26,27)28)13-19(12-17)34(36)37)30-21-5-8-29-22-14-20(31-33(21)22)16-6-9-32(10-7-16)23(35)38-24(2,3)4;1-15(17-11-18(25(26,27)28)13-19(29)12-17)31-21-5-8-30-22-14-20(32-34(21)22)16-6-9-33(10-7-16)23(35)36-24(2,3)4;1-12(14-8-15(20(21,22)23)10-16(24)9-14)27-18-4-7-26-19-11-17(28-29(18)19)13-2-5-25-6-3-13;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-8(21-13-2-3-20-14-7-12(16)22-23(13)14)9-4-10(15(17,18)19)6-11(5-9)24(25)26;1-5(13)6-2-7(9(10,11)12)4-8(3-6)14(15)16;7-4-3-6-9-2-1-5(8)11(6)10-4/h5-6,8,11-15,30H,7,9-10H2,1-4H3;5-6,8,11-15,31H,7,9-10,29H2,1-4H3;2,4,7-12,25,27H,3,5-6,24H2,1H3;8H,9-11H2,1-7H3;2-8,21H,1H3;2-5H,13H2,1H3;1-3H/t2*15-;12-;;8-;5-;/m111.11./s1.
What are the key properties of N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine?
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 2643.53 g/mol, XLogP of 27.82, 20 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;2-bromo-7-chloropyrazolo[1,5-a]pyrimidine;2-bromo-N-[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]pyrazolo[1,5-a]pyrimidin-7-amine;tert-butyl 4-[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[7-[[(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;(1R)-1-[3-nitro-5-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 165022123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).