About tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole
tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole (PubChem CID 157153901) has the molecular formula C212H283ClF10N36O12S3
and a molecular weight of 3849.47 g/mol. Its IUPAC name is tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole?
The IUPAC name of tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole (CID 157153901) is tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole.
What is the SMILES notation for tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole?
The canonical SMILES for tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole is COc1cc(C)cs1.Cc1ccc(C(=O)N2CCN(C)CC2)cc1.Cc1ccc(C(=O)N2CCN(CCO)CC2)cc1.Cc1ccc(C(=O)N2CC[C@@H](O)C2)cc1.Cc1ccc(C(C)(C)O)c(F)c1.Cc1ccc(C)s1.Cc1ccc(F)cc1.Cc1ccc(N)cc1.Cc1ccc(N)nc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2c(c1)CCO2.Cc1cccc(F)c1.Cc1cccc(N(C)C)c1.Cc1ccccc1F.Cc1cccnc1.Cc1ccnc(Cl)c1.Cc1cn[nH]c1C.Cc1cn[nH]c1C(F)(F)F.Cc1cn[nH]c1C(F)(F)F.Cc1cnc(C)nc1.Cc1cnc(N)nc1.Cc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1.Cc1cnn(CCN2CCOCC2)c1.Cc1csc(C)c1.Cc1n[nH]c(C)c1C.Cn1ccnc1.
What is the InChIKey of tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole?
The InChIKey is ALOSSZSGKUQSSV-BRXLUBGGSA-N. The full InChI is InChI=1S/C14H23N3O2.C14H20N2O2.C13H18N2O.C12H15NO2.C11H16N2.C10H13FO.C10H17N3O.C10H14N2O.C9H13N.C9H10O.3C7H7F.C7H9N.C6H6ClN.C6H8N2.C6H10N2.C6H8N2.C6H7N.C6H8OS.2C6H8S.2C5H5F3N2.C5H7N3.C5H8N2.C4H6N2/c1-11-9-15-17(10-11)12-5-7-16(8-6-12)13(18)19-14(2,3)4;1-12-2-4-13(5-3-12)14(18)16-8-6-15(7-9-16)10-11-17;1-11-3-5-12(6-4-11)13(16)15-9-7-14(2)8-10-15;1-9-2-4-10(5-3-9)12(15)13-7-6-11(14)8-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-7-4-5-8(9(11)6-7)10(2,3)12;1-10-8-11-13(9-10)3-2-12-4-6-14-7-5-12;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-8-5-4-6-9(7-8)10(2)3;1-7-2-3-9-8(6-7)4-5-10-9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8;1-6-2-4-7(8)5-3-6;1-5-2-3-8-6(7)4-5;1-5-3-7-6(2)8-4-5;1-4-5(2)7-8-6(4)3;1-5-2-3-6(7)8-4-5;1-6-3-2-4-7-5-6;1-5-3-6(7-2)8-4-5;1-5-3-6(2)7-4-5;1-5-3-4-6(2)7-5;2*1-3-2-9-10-4(3)5(6,7)8;1-4-2-7-5(6)8-3-4;1-4-3-6-7-5(4)2;1-6-3-2-5-4-6/h9-10,12H,5-8H2,1-4H3;2-5,17H,6-11H2,1H3;3-6H,7-10H2,1-2H3;2-5,11,14H,6-8H2,1H3;5-6,9H,2-4,7-8H2,1H3;4-6,12H,1-3H3;8-9H,2-7H2,1H3;2-3,8H,4-7H2,1H3;4-7H,1-3H3;2-3,6H,4-5H2,1H3;3*2-5H,1H3;2-5H,8H2,1H3;2-4H,1H3;3-4H,1-2H3;1-3H3,(H,7,8);2-4H,1H3,(H2,7,8);2-5H,1H3;3-4H,1-2H3;2*3-4H,1-2H3;2*2H,1H3,(H,9,10);2-3H,1H3,(H2,6,7,8);3H,1-2H3,(H,6,7);2-4H,1H3/t;;;11-;;;;;;;;;;;;;;;;;;;;;;;/m...1......................./s1.
What are the key properties of tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole?
tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole has a molecular weight of 3849.47 g/mol, XLogP of 43.47, 14 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-methylpyrazol-1-yl)piperidine-1-carboxylate;2-chloro-4-methylpyridine;4,5-dimethyl-1H-pyrazole;2,5-dimethylpyrimidine;2,4-dimethylthiophene;2,5-dimethylthiophene;1-fluoro-2-methylbenzene;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;2-(2-fluoro-4-methylphenyl)propan-2-ol;[4-(2-hydroxyethyl)piperazin-1-yl]-(4-methylphenyl)methanone;[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylphenyl)methanone;2-methoxy-4-methylthiophene;4-methylaniline;5-methyl-2,3-dihydro-1-benzofuran;1-methylimidazole;(4-methylphenyl)-(4-methylpiperazin-1-yl)methanone;5-methyl-2-piperidin-1-ylpyridine;4-[2-(4-methylpyrazol-1-yl)ethyl]morpholine;5-methylpyridin-2-amine;3-methylpyridine;4-(5-methyl-2-pyridinyl)morpholine;5-methylpyrimidin-2-amine;bis(4-methyl-5-(trifluoromethyl)-1H-pyrazole);N,N,3-trimethylaniline;3,4,5-trimethyl-1H-pyrazole is sourced from PubChem (CID 157153901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).