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

C180H219IN29O17Pd- — CID 159616611

IUPAC3-[[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
SMILESC.CC(C)(C)OC(=O)NC1CCC(O)CC1.CC1CCC(n2ncc(-c3ccccc3)c2N)CC1.CN(C)C1CCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(C)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(N(C)C)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(N)CC1.COC(=O)c1ccncc1I.Cc1c(-c2ccccc2)cnn1C1CCC(C)CC1.NC1CCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)CC1.O=[N+]([O-])c1[nH]ncc1-c1ccccc1.[CH3-].[Pd]
InChIInChI=1S/C25H30N4O2.C24H28N4O2.C24H27N3O2.C23H26N4O2.C22H24N4O2.C17H22N2.C16H21N3.C11H21NO3.C9H7N3O2.C7H6INO2.CH4.CH3.Pd/c1-28(2)20-9-11-21(12-10-20)29-24(23(17-27-29)18-7-5-4-6-8-18)15-19-16-26-14-13-22(19)25(30)31-3;1-27(2)19-8-10-20(11-9-19)28-23(14-18-15-25-13-12-21(18)24(29)30)22(16-26-28)17-6-4-3-5-7-17;1-17-8-10-20(11-9-17)27-23(22(16-26-27)18-6-4-3-5-7-18)14-19-15-25-13-12-21(19)24(28)29-2;1-29-23(28)20-11-12-25-14-17(20)13-22-21(16-5-3-2-4-6-16)15-26-27(22)19-9-7-18(24)8-10-19;23-17-6-8-18(9-7-17)26-21(12-16-13-24-11-10-19(16)22(27)28)20(14-25-26)15-4-2-1-3-5-15;1-13-8-10-16(11-9-13)19-14(2)17(12-18-19)15-6-4-3-5-7-15;1-12-7-9-14(10-8-12)19-16(17)15(11-18-19)13-5-3-2-4-6-13;1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8;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;;;/h4-8,13-14,16-17,20-21H,9-12,15H2,1-3H3;3-7,12-13,15-16,19-20H,8-11,14H2,1-2H3,(H,29,30);3-7,12-13,15-17,20H,8-11,14H2,1-2H3;2-6,11-12,14-15,18-19H,7-10,13,24H2,1H3;1-5,10-11,13-14,17-18H,6-9,12,23H2,(H,27,28);3-7,12-13,16H,8-11H2,1-2H3;2-6,11-12,14H,7-10,17H2,1H3;8-9,13H,4-7H2,1-3H3,(H,12,14);1-6H,(H,10,11);2-4H,1H3;1H4;1H3;/q;;;;;;;;;;;-1;
InChIKeyPEJNXDULRIPJAS-UHFFFAOYSA-N
MW3294.24 g/mol
LogP36.01
Rot. Bonds35

About 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

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 (PubChem CID 159616611) has the molecular formula C180H219IN29O17Pd- and a molecular weight of 3294.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[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
PubChem CID159616611
Molecular FormulaC180H219IN29O17Pd-
Molecular Weight3294.24 g/mol
Exact Mass3291.52
IUPAC Name3-[[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
SMILESC.CC(C)(C)OC(=O)NC1CCC(O)CC1.CC1CCC(n2ncc(-c3ccccc3)c2N)CC1.CN(C)C1CCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(C)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(N(C)C)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(N)CC1.COC(=O)c1ccncc1I.Cc1c(-c2ccccc2)cnn1C1CCC(C)CC1.NC1CCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)CC1.O=[N+]([O-])c1[nH]ncc1-c1ccccc1.[CH3-].[Pd]
InChIInChI=1S/C25H30N4O2.C24H28N4O2.C24H27N3O2.C23H26N4O2.C22H24N4O2.C17H22N2.C16H21N3.C11H21NO3.C9H7N3O2.C7H6INO2.CH4.CH3.Pd/c1-28(2)20-9-11-21(12-10-20)29-24(23(17-27-29)18-7-5-4-6-8-18)15-19-16-26-14-13-22(19)25(30)31-3;1-27(2)19-8-10-20(11-9-19)28-23(14-18-15-25-13-12-21(18)24(29)30)22(16-26-28)17-6-4-3-5-7-17;1-17-8-10-20(11-9-17)27-23(22(16-26-27)18-6-4-3-5-7-18)14-19-15-25-13-12-21(19)24(28)29-2;1-29-23(28)20-11-12-25-14-17(20)13-22-21(16-5-3-2-4-6-16)15-26-27(22)19-9-7-18(24)8-10-19;23-17-6-8-18(9-7-17)26-21(12-16-13-24-11-10-19(16)22(27)28)20(14-25-26)15-4-2-1-3-5-15;1-13-8-10-16(11-9-13)19-14(2)17(12-18-19)15-6-4-3-5-7-15;1-12-7-9-14(10-8-12)19-16(17)15(11-18-19)13-5-3-2-4-6-13;1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8;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;;;/h4-8,13-14,16-17,20-21H,9-12,15H2,1-3H3;3-7,12-13,15-16,19-20H,8-11,14H2,1-2H3,(H,29,30);3-7,12-13,15-17,20H,8-11,14H2,1-2H3;2-6,11-12,14-15,18-19H,7-10,13,24H2,1H3;1-5,10-11,13-14,17-18H,6-9,12,23H2,(H,27,28);3-7,12-13,16H,8-11H2,1-2H3;2-6,11-12,14H,7-10,17H2,1H3;8-9,13H,4-7H2,1-3H3,(H,12,14);1-6H,(H,10,11);2-4H,1H3;1H4;1H3;/q;;;;;;;;;;;-1;
InChIKeyPEJNXDULRIPJAS-UHFFFAOYSA-N
XLogP36.01
TPSA596.80 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds35
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003294.24
LogP ≤ 536.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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 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 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
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
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 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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.CC(C)(C)OC(=O)NC1CCC(O)CC1.CC1CCC(n2ncc(-c3ccccc3)c2N)CC1.CN(C)C1CCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(C)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(N(C)C)CC1.COC(=O)c1ccncc1Cc1c(-c2ccccc2)cnn1C1CCC(N)CC1.COC(=O)c1ccncc1I.Cc1c(-c2ccccc2)cnn1C1CCC(C)CC1.NC1CCC(n2ncc(-c3ccccc3)c2Cc2cnccc2C(=O)O)CC1.O=[N+]([O-])c1[nH]ncc1-c1ccccc1.[CH3-].[Pd].
What is the InChIKey of 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?
The InChIKey is PEJNXDULRIPJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2.C24H28N4O2.C24H27N3O2.C23H26N4O2.C22H24N4O2.C17H22N2.C16H21N3.C11H21NO3.C9H7N3O2.C7H6INO2.CH4.CH3.Pd/c1-28(2)20-9-11-21(12-10-20)29-24(23(17-27-29)18-7-5-4-6-8-18)15-19-16-26-14-13-22(19)25(30)31-3;1-27(2)19-8-10-20(11-9-19)28-23(14-18-15-25-13-12-21(18)24(29)30)22(16-26-28)17-6-4-3-5-7-17;1-17-8-10-20(11-9-17)27-23(22(16-26-27)18-6-4-3-5-7-18)14-19-15-25-13-12-21(19)24(28)29-2;1-29-23(28)20-11-12-25-14-17(20)13-22-21(16-5-3-2-4-6-16)15-26-27(22)19-9-7-18(24)8-10-19;23-17-6-8-18(9-7-17)26-21(12-16-13-24-11-10-19(16)22(27)28)20(14-25-26)15-4-2-1-3-5-15;1-13-8-10-16(11-9-13)19-14(2)17(12-18-19)15-6-4-3-5-7-15;1-12-7-9-14(10-8-12)19-16(17)15(11-18-19)13-5-3-2-4-6-13;1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8;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;;;/h4-8,13-14,16-17,20-21H,9-12,15H2,1-3H3;3-7,12-13,15-16,19-20H,8-11,14H2,1-2H3,(H,29,30);3-7,12-13,15-17,20H,8-11,14H2,1-2H3;2-6,11-12,14-15,18-19H,7-10,13,24H2,1H3;1-5,10-11,13-14,17-18H,6-9,12,23H2,(H,27,28);3-7,12-13,16H,8-11H2,1-2H3;2-6,11-12,14H,7-10,17H2,1H3;8-9,13H,4-7H2,1-3H3,(H,12,14);1-6H,(H,10,11);2-4H,1H3;1H4;1H3;/q;;;;;;;;;;;-1;.
What are the key properties of 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?
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 has a molecular weight of 3294.24 g/mol, XLogP of 36.01, 35 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159616611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).