tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid

C182H217IN32O23 — CID 160605998

IUPACtert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(O)C1.CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccccc3)c2N)C1.CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)OC)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(C(=O)OC(C)(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1.COC(=O)c1ccncc1I.Cc1c(-c2ccccc2)cnn1C1CCCN(C(=O)OC(C)(C)C)C1.O=C(O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1.O=[N+]([O-])c1[nH]ncc1-c1ccccc1
InChIInChI=1S/C27H32N4O4.C24H28N4O2.C23H26N4O2.C22H24N4O2.C21H22N4O2.C20H27N3O2.C19H26N4O2.C10H19NO3.C9H7N3O2.C7H6INO2/c1-27(2,3)35-26(33)30-14-8-11-21(18-30)31-24(23(17-29-31)19-9-6-5-7-10-19)15-20-16-28-13-12-22(20)25(32)34-4;1-3-27-13-7-10-20(17-27)28-23(22(16-26-28)18-8-5-4-6-9-18)14-19-15-25-12-11-21(19)24(29)30-2;1-2-26-12-6-9-19(16-26)27-22(13-18-14-24-11-10-20(18)23(28)29)21(15-25-27)17-7-4-3-5-8-17;1-28-22(27)19-9-11-24-13-17(19)12-21-20(16-6-3-2-4-7-16)15-25-26(21)18-8-5-10-23-14-18;26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-24-25(20)17-7-4-9-22-13-17;1-15-18(16-9-6-5-7-10-16)13-21-23(15)17-11-8-12-22(14-17)19(24)25-20(2,3)4;1-19(2,3)25-18(24)22-11-7-10-15(13-22)23-17(20)16(12-21-23)14-8-5-4-6-9-14;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;13-12(14)9-8(6-10-11-9)7-4-2-1-3-5-7;1-11-7(10)5-2-3-9-4-6(5)8/h5-7,9-10,12-13,16-17,21H,8,11,14-15,18H2,1-4H3;4-6,8-9,11-12,15-16,20H,3,7,10,13-14,17H2,1-2H3;3-5,7-8,10-11,14-15,19H,2,6,9,12-13,16H2,1H3,(H,28,29);2-4,6-7,9,11,13,15,18,23H,5,8,10,12,14H2,1H3;1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27);5-7,9-10,13,17H,8,11-12,14H2,1-4H3;4-6,8-9,12,15H,7,10-11,13,20H2,1-3H3;8,12H,4-7H2,1-3H3;1-6H,(H,10,11);2-4H,1H3
InChIKeyREWKYDVVYAGFNJ-UHFFFAOYSA-N
MW3347.84 g/mol
LogP32.14
Rot. Bonds34

About tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid

tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 160605998) has the molecular formula C182H217IN32O23 and a molecular weight of 3347.84 g/mol. Its IUPAC name is tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid
PubChem CID160605998
Molecular FormulaC182H217IN32O23
Molecular Weight3347.84 g/mol
Exact Mass3345.58
IUPAC Nametert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC(O)C1.CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccccc3)c2N)C1.CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)OC)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(C(=O)OC(C)(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1.COC(=O)c1ccncc1I.Cc1c(-c2ccccc2)cnn1C1CCCN(C(=O)OC(C)(C)C)C1.O=C(O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1.O=[N+]([O-])c1[nH]ncc1-c1ccccc1
InChIInChI=1S/C27H32N4O4.C24H28N4O2.C23H26N4O2.C22H24N4O2.C21H22N4O2.C20H27N3O2.C19H26N4O2.C10H19NO3.C9H7N3O2.C7H6INO2/c1-27(2,3)35-26(33)30-14-8-11-21(18-30)31-24(23(17-29-31)19-9-6-5-7-10-19)15-20-16-28-13-12-22(20)25(32)34-4;1-3-27-13-7-10-20(17-27)28-23(22(16-26-28)18-8-5-4-6-9-18)14-19-15-25-12-11-21(19)24(29)30-2;1-2-26-12-6-9-19(16-26)27-22(13-18-14-24-11-10-20(18)23(28)29)21(15-25-27)17-7-4-3-5-8-17;1-28-22(27)19-9-11-24-13-17(19)12-21-20(16-6-3-2-4-7-16)15-25-26(21)18-8-5-10-23-14-18;26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-24-25(20)17-7-4-9-22-13-17;1-15-18(16-9-6-5-7-10-16)13-21-23(15)17-11-8-12-22(14-17)19(24)25-20(2,3)4;1-19(2,3)25-18(24)22-11-7-10-15(13-22)23-17(20)16(12-21-23)14-8-5-4-6-9-14;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;13-12(14)9-8(6-10-11-9)7-4-2-1-3-5-7;1-11-7(10)5-2-3-9-4-6(5)8/h5-7,9-10,12-13,16-17,21H,8,11,14-15,18H2,1-4H3;4-6,8-9,11-12,15-16,20H,3,7,10,13-14,17H2,1-2H3;3-5,7-8,10-11,14-15,19H,2,6,9,12-13,16H2,1H3,(H,28,29);2-4,6-7,9,11,13,15,18,23H,5,8,10,12,14H2,1H3;1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27);5-7,9-10,13,17H,8,11-12,14H2,1-4H3;4-6,8-9,12,15H,7,10-11,13,20H2,1-3H3;8,12H,4-7H2,1-3H3;1-6H,(H,10,11);2-4H,1H3
InChIKeyREWKYDVVYAGFNJ-UHFFFAOYSA-N
XLogP32.14
TPSA648.65 Ų
H-Bond Donors7
H-Bond Acceptors47
Rotatable Bonds34
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003347.84
LogP ≤ 532.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

Tert-butyl 3-(3-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-(4-methyl-3-nitropyrazol-1-yl)piperidine-1-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazol-3-yl]amino]pyridine-4-carboxylate;methyl 3-[(4-methyl-1-piperidin-3-ylpyrazol-3-yl)amino]pyridine-4-carboxylate;3-[(4-methyl-1-piperidin-3-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 157608093
CID 159206391
CID 159206391
benzyl (3R)-3-(5-amino-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3S)-3-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-[5-[(4-methoxycarbonyl-3-pyridinyl)amino]-4-phenylpyrazol-1-yl]-3,4-dihydro-2H-quinoline-1-carboxylate;benzyl (3R)-3-(5-nitro-4-phenylpyrazol-1-yl)-3,4-dihydro-2H-quinoline-1-carboxylate;carbanide;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-phenyl-1-[(3R)-1,2,3,4-tetrahydroquinolin-3-yl]pyrazol-5-yl]amino]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium
CID 159363717
(3R,4R)-1-(1-benzylpyrazol-3-yl)-3-morpholin-4-ylpiperidin-4-ol;(3R,4S)-1-(1-benzylpyrazol-3-yl)-3-morpholin-4-ylpiperidin-4-ol;[(3R,4S)-1-(1-benzylpyrazol-3-yl)-3-morpholin-4-ylpiperidin-4-yl] 4-nitrobenzoate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;(3R,4S)-3-morpholin-4-yl-1-(1H-pyrazol-5-yl)piperidin-4-ol;4-nitrobenzoic acid
CID 159594166
3-[[1-(4-aminocyclohexyl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-(4-hydroxycyclohexyl)carbamate;carbanide;3-[[1-[4-(dimethylamino)cyclohexyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methane;methyl 3-[[1-(4-aminocyclohexyl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;1-(4-methylcyclohexyl)-4-phenylpyrazol-5-amine;methyl 3-[[1-[4-(dimethylamino)cyclohexyl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;5-methyl-1-(4-methylcyclohexyl)-4-phenylpyrazole;methyl 3-[[1-(4-methylcyclohexyl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;palladium
CID 159616611
1-benzyl-4-bromo-3-nitropyrazole;1-benzyl-4-methyl-3-nitropyrazole;1-benzyl-4-methylpyrazol-3-amine;3-[(1-benzyl-4-methylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid;4-bromo-5-nitro-1H-pyrazole;methyl 3-[(1-benzyl-4-methylpyrazol-3-yl)methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
CID 159629726
(3R,4R)-1-(1-benzylpyrazol-3-yl)-3-morpholin-4-ylpiperidin-4-ol;(3R,4S)-1-(1-benzylpyrazol-3-yl)-3-morpholin-4-ylpiperidin-4-ol;(3R,4R)-1-(1-benzylpyrazol-3-yl)-4-morpholin-4-ylpiperidin-3-ol;[(3R,4S)-1-(1-benzylpyrazol-3-yl)-3-morpholin-4-ylpiperidin-4-yl] 4-nitrobenzoate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;(3R,4S)-3-morpholin-4-yl-1-(1H-pyrazol-5-yl)piperidin-4-ol;4-nitrobenzoic acid
CID 159995931
tert-butyl 4-(3-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;tert-butyl 4-(3-nitro-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;methyl 3-iodopyridine-4-carboxylate;bis(methyl 3-[[1-(1-methylpiperidin-4-yl)-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate);methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-4-phenylpyrazol-3-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 160305160
tert-butyl N-methyl-N-(2-oxoethyl)carbamate;3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-[1-[2-(dimethylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-(methylamino)ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[[1-[1-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate
CID 160760650
tert-butyl 4-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 4-hydroxypiperidine-1-carboxylate;tert-butyl 4-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;carbanide;3-[(1-cyclohexyl-4-methylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid;methane;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylic acid;4-methyl-5-nitro-1H-pyrazole;palladium
CID 161119403
tert-butyl 3-(5-amino-4-methylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(4-methyl-3-nitropyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-(4-methyl-5-nitropyrazol-1-yl)piperidine-1-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]pyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-methyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;methyl 3-[[4-methyl-1-(1-propylpiperidin-3-yl)pyrazol-5-yl]methyl]pyridine-4-carboxylate;4-methyl-5-nitro-1H-pyrazole;propanal
CID 161673970
benzyl (3S,4S)-3-(4-amino-3-methylpyrazol-1-yl)-4-methylpyrrolidine-1-carboxylate;benzyl (3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carboxylate;bis(benzyl (3R,4S)-3-hydroxy-4-methylpyrrolidine-1-carboxylate);benzyl (3S,4S)-3-methyl-4-(3-methyl-4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;bromocopper(1+);carbanide;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[3-methyl-1-[(3S,4S)-4-methyl-1-phenylmethoxycarbonylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylate;5-methyl-4-nitro-1H-pyrazole
CID 161862620

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid (CID 160605998) is tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCCC(O)C1.CC(C)(C)OC(=O)N1CCCC(n2ncc(-c3ccccc3)c2N)C1.CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)C1.CCN1CCCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)OC)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCN(C(=O)OC(C)(C)C)C1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1.COC(=O)c1ccncc1I.Cc1c(-c2ccccc2)cnn1C1CCCN(C(=O)OC(C)(C)C)C1.O=C(O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCCNC1.O=[N+]([O-])c1[nH]ncc1-c1ccccc1.
What is the InChIKey of tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is REWKYDVVYAGFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C24H28N4O2.C23H26N4O2.C22H24N4O2.C21H22N4O2.C20H27N3O2.C19H26N4O2.C10H19NO3.C9H7N3O2.C7H6INO2/c1-27(2,3)35-26(33)30-14-8-11-21(18-30)31-24(23(17-29-31)19-9-6-5-7-10-19)15-20-16-28-13-12-22(20)25(32)34-4;1-3-27-13-7-10-20(17-27)28-23(22(16-26-28)18-8-5-4-6-9-18)14-19-15-25-12-11-21(19)24(29)30-2;1-2-26-12-6-9-19(16-26)27-22(13-18-14-24-11-10-20(18)23(28)29)21(15-25-27)17-7-4-3-5-8-17;1-28-22(27)19-9-11-24-13-17(19)12-21-20(16-6-3-2-4-7-16)15-25-26(21)18-8-5-10-23-14-18;26-21(27)18-8-10-23-12-16(18)11-20-19(15-5-2-1-3-6-15)14-24-25(20)17-7-4-9-22-13-17;1-15-18(16-9-6-5-7-10-16)13-21-23(15)17-11-8-12-22(14-17)19(24)25-20(2,3)4;1-19(2,3)25-18(24)22-11-7-10-15(13-22)23-17(20)16(12-21-23)14-8-5-4-6-9-14;1-10(2,3)14-9(13)11-6-4-5-8(12)7-11;13-12(14)9-8(6-10-11-9)7-4-2-1-3-5-7;1-11-7(10)5-2-3-9-4-6(5)8/h5-7,9-10,12-13,16-17,21H,8,11,14-15,18H2,1-4H3;4-6,8-9,11-12,15-16,20H,3,7,10,13-14,17H2,1-2H3;3-5,7-8,10-11,14-15,19H,2,6,9,12-13,16H2,1H3,(H,28,29);2-4,6-7,9,11,13,15,18,23H,5,8,10,12,14H2,1H3;1-3,5-6,8,10,12,14,17,22H,4,7,9,11,13H2,(H,26,27);5-7,9-10,13,17H,8,11-12,14H2,1-4H3;4-6,8-9,12,15H,7,10-11,13,20H2,1-3H3;8,12H,4-7H2,1-3H3;1-6H,(H,10,11);2-4H,1H3.
What are the key properties of tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid?
tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 3347.84 g/mol, XLogP of 32.14, 34 rotatable bonds, 7 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-amino-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;tert-butyl 3-hydroxypiperidine-1-carboxylate;tert-butyl 3-(5-methyl-4-phenylpyrazol-1-yl)piperidine-1-carboxylate;3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-3-yl)-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;methyl 3-[[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-4-phenylpyrazol-5-yl]methyl]pyridine-4-carboxylate;methyl 3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylate;5-nitro-4-phenyl-1H-pyrazole;3-[(4-phenyl-1-piperidin-3-ylpyrazol-5-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 160605998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).