benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride

C149H177ClIN23O16 — CID 160510884

IUPACbenzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride
SMILESC.CC.CC(C)(C)OC(=O)CNC1CCN(Cc2ccccc2)C1.CC(C)(C)OC(=O)NN.CN(C)C=C(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O.COC(=O)c1ccncc1Cc1cnn(C2CCN(Cc3ccccc3)C2)c1-c1ccccc1.COC(=O)c1ccncc1I.Cl.NNC1CCN(Cc2ccccc2)C1.Nc1cnn(C2CCN(C(=O)OCc3ccccc3)C2)c1-c1ccccc1.O=C(O)c1ccncc1Cc1cnn(C2CCN(Cc3ccccc3)C2)c1-c1ccccc1.O=C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C28H28N4O2.C27H26N4O2.C21H22N4O2.C19H16N2O3.C17H26N2O2.C11H17N3.C11H13NO.C7H6INO2.C5H12N2O2.C2H6.CH4.ClH/c1-34-28(33)26-12-14-29-17-23(26)16-24-18-30-32(27(24)22-10-6-3-7-11-22)25-13-15-31(20-25)19-21-8-4-2-5-9-21;32-27(33)25-11-13-28-16-22(25)15-23-17-29-31(26(23)21-9-5-2-6-10-21)24-12-14-30(19-24)18-20-7-3-1-4-8-20;22-19-13-23-25(20(19)17-9-5-2-6-10-17)18-11-12-24(14-18)21(26)27-15-16-7-3-1-4-8-16;1-20(2)12-16(17(22)13-8-4-3-5-9-13)21-18(23)14-10-6-7-11-15(14)19(21)24;1-17(2,3)21-16(20)11-18-15-9-10-19(13-15)12-14-7-5-4-6-8-14;12-13-11-6-7-14(9-11)8-10-4-2-1-3-5-10;13-11-6-7-12(9-11)8-10-4-2-1-3-5-10;1-11-7(10)5-2-3-9-4-6(5)8;1-5(2,3)9-4(8)7-6;1-2;;/h2-12,14,17-18,25H,13,15-16,19-20H2,1H3;1-11,13,16-17,24H,12,14-15,18-19H2,(H,32,33);1-10,13,18H,11-12,14-15,22H2;3-12H,1-2H3;4-8,15,18H,9-13H2,1-3H3;1-5,11,13H,6-9,12H2;1-5H,6-9H2;2-4H,1H3;6H2,1-3H3,(H,7,8);1-2H3;1H4;1H
InChIKeyJXXHDDOOOUZOEN-UHFFFAOYSA-N
MW2708.56 g/mol
LogP24.05
Rot. Bonds33

About benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride

benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride (PubChem CID 160510884) has the molecular formula C149H177ClIN23O16 and a molecular weight of 2708.56 g/mol. Its IUPAC name is benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride
PubChem CID160510884
Molecular FormulaC149H177ClIN23O16
Molecular Weight2708.56 g/mol
Exact Mass2706.25
IUPAC Namebenzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride
SMILESC.CC.CC(C)(C)OC(=O)CNC1CCN(Cc2ccccc2)C1.CC(C)(C)OC(=O)NN.CN(C)C=C(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O.COC(=O)c1ccncc1Cc1cnn(C2CCN(Cc3ccccc3)C2)c1-c1ccccc1.COC(=O)c1ccncc1I.Cl.NNC1CCN(Cc2ccccc2)C1.Nc1cnn(C2CCN(C(=O)OCc3ccccc3)C2)c1-c1ccccc1.O=C(O)c1ccncc1Cc1cnn(C2CCN(Cc3ccccc3)C2)c1-c1ccccc1.O=C1CCN(Cc2ccccc2)C1
InChIInChI=1S/C28H28N4O2.C27H26N4O2.C21H22N4O2.C19H16N2O3.C17H26N2O2.C11H17N3.C11H13NO.C7H6INO2.C5H12N2O2.C2H6.CH4.ClH/c1-34-28(33)26-12-14-29-17-23(26)16-24-18-30-32(27(24)22-10-6-3-7-11-22)25-13-15-31(20-25)19-21-8-4-2-5-9-21;32-27(33)25-11-13-28-16-22(25)15-23-17-29-31(26(23)21-9-5-2-6-10-21)24-12-14-30(19-24)18-20-7-3-1-4-8-20;22-19-13-23-25(20(19)17-9-5-2-6-10-17)18-11-12-24(14-18)21(26)27-15-16-7-3-1-4-8-16;1-20(2)12-16(17(22)13-8-4-3-5-9-13)21-18(23)14-10-6-7-11-15(14)19(21)24;1-17(2,3)21-16(20)11-18-15-9-10-19(13-15)12-14-7-5-4-6-8-14;12-13-11-6-7-14(9-11)8-10-4-2-1-3-5-10;13-11-6-7-12(9-11)8-10-4-2-1-3-5-10;1-11-7(10)5-2-3-9-4-6(5)8;1-5(2,3)9-4(8)7-6;1-2;;/h2-12,14,17-18,25H,13,15-16,19-20H2,1H3;1-11,13,16-17,24H,12,14-15,18-19H2,(H,32,33);1-10,13,18H,11-12,14-15,22H2;3-12H,1-2H3;4-8,15,18H,9-13H2,1-3H3;1-5,11,13H,6-9,12H2;1-5H,6-9H2;2-4H,1H3;6H2,1-3H3,(H,7,8);1-2H3;1H4;1H
InChIKeyJXXHDDOOOUZOEN-UHFFFAOYSA-N
XLogP24.05
TPSA469.28 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002708.56
LogP ≤ 524.05
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride with MolForge

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Related Compounds

benzylhydrazine;1-benzyl-5-methylpyrazol-4-amine;2-(1-benzyl-5-methylpyrazol-4-yl)isoindole-1,3-dione;3-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyridine-4-carboxylic acid;2-[(E)-1-(dimethylamino)-3-oxobut-1-en-2-yl]isoindole-1,3-dione;ethane;ethanol;methyl 3-[(1-benzyl-5-methylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-bromopyridine-4-carboxylate
CID 157515271
2-aminoisoindole-1,3-dione;tert-butyl N-(4-cyclohexylpyrrolo[1,2-b]pyridazin-3-yl)carbamate;4-cyclohexylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;diethyl 2-[(pyrrol-1-ylamino)methylidene]propanedioate;ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-cyclohexylpyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate;pyrrol-1-amine;2-pyrrol-1-ylisoindole-1,3-dione
CID 157907556
2-aminoisoindole-1,3-dione;tert-butyl N-(4-methylpyrrolo[1,2-b]pyridazin-3-yl)carbamate;deuterium monohydride;diethyl 2-[(pyrrol-1-ylamino)methylidene]propanedioate;ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-methylpyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate;4-methylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;pyrrol-1-amine;2-pyrrol-1-ylisoindole-1,3-dione
CID 158651693
ethyl (E)-3-(4-iodophenyl)prop-2-enoate;ethyl (E)-3-[4-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]prop-2-enoate;1H-indazole-3-carboxylic acid;1H-indazol-3-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;(E)-N-(pyridin-3-ylmethyl)-3-[4-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)indazol-1-yl]phenyl]prop-2-enamide
CID 158826965
4-(4-amino-5-methylpyrazol-1-yl)-N-methylbenzamide;carbon dioxide;2-[(E)-1-(dimethylamino)-3-oxobut-1-en-2-yl]isoindole-1,3-dione;ethanol;ethyl 4-[4-(1,3-dioxoisoindol-2-yl)-5-methylpyrazol-1-yl]benzoate;(4-ethylphenyl)methanamine;methanamine;methyl 3-bromopyridine-4-carboxylate;3-[[5-methyl-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[5-methyl-1-[4-(methylcarbamoyl)phenyl]pyrazol-4-yl]methyl]pyridine-4-carboxylate
CID 159300244
4-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-oxo-2-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethyl]pyrazol-3-yl]benzoic acid;methyl 4-acetylbenzoate;methyl 4-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-3-yl]benzoate;methyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]benzoate;methyl 4-[4-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazol-3-yl]benzoate;methyl 4-(4-iodo-1H-pyrazol-5-yl)benzoate;methyl 4-(1H-pyrazol-5-yl)benzoate
CID 159692119
tert-butyl 3-[7-(4-methoxycarbonylphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;tert-butyl 3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylate;4-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-1H-pyrazolo[3,4-c]pyridin-7-yl]benzoic acid;1-[3-[7-[4-(2-pyridin-2-ylacetyl)phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidin-1-yl]prop-2-en-1-one;2-pyridin-2-yl-1-[4-(5-pyrrolidin-3-yl-1H-pyrazolo[3,4-c]pyridin-7-yl)phenyl]ethanone
CID 159824817
2-aminoisoindole-1,3-dione;tert-butyl N-(4-cyclohexylpyrrolo[1,2-b]pyridazin-3-yl)carbamate;4-cyclohexylpyrrolo[1,2-b]pyridazin-3-amine;4-cyclohexylpyrrolo[1,2-b]pyridazine-3-carboxylic acid;diethyl 2-[(pyrrol-1-ylamino)methylidene]propanedioate;ethyl 4-chloropyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-cyclohexylpyrrolo[1,2-b]pyridazine-3-carboxylate;ethyl 4-oxo-1H-pyrrolo[1,2-b]pyridazine-3-carboxylate;pyrrol-1-amine;2-pyrrol-1-ylisoindole-1,3-dione
CID 161515519
benzyl (3S,4S)-3-[[6-[6-(aminomethyl)-3-pyridinyl]-3-carbamoylpyrrolo[1,2-b]pyridazin-4-yl]amino]-4-ethylpyrrolidine-1-carboxylate;benzyl (3S,4S)-3-[[3-carbamoyl-6-[6-[(1,3-dioxoisoindol-2-yl)methyl]-3-pyridinyl]pyrrolo[1,2-b]pyridazin-4-yl]amino]-4-ethylpyrrolidine-1-carboxylate
CID 161735034
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
tert-butyl N-aminocarbamate;tert-butyl N-[(1-methylpiperidin-4-yl)amino]carbamate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-bromopyridine-4-carboxylate;methyl 3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;1-methylpiperidin-4-one;(1-methylpiperidin-4-yl)hydrazine;1-(1-methylpiperidin-4-yl)-3-phenylpyrazol-4-amine;bis(1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-amine);3-[[1-(1-methylpiperidin-4-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;hydrochloride
CID 162103480

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride?
The IUPAC name of benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride (CID 160510884) is benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride?
The canonical SMILES for benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride is C.CC.CC(C)(C)OC(=O)CNC1CCN(Cc2ccccc2)C1.CC(C)(C)OC(=O)NN.CN(C)C=C(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O.COC(=O)c1ccncc1Cc1cnn(C2CCN(Cc3ccccc3)C2)c1-c1ccccc1.COC(=O)c1ccncc1I.Cl.NNC1CCN(Cc2ccccc2)C1.Nc1cnn(C2CCN(C(=O)OCc3ccccc3)C2)c1-c1ccccc1.O=C(O)c1ccncc1Cc1cnn(C2CCN(Cc3ccccc3)C2)c1-c1ccccc1.O=C1CCN(Cc2ccccc2)C1.
What is the InChIKey of benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride?
The InChIKey is JXXHDDOOOUZOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2.C27H26N4O2.C21H22N4O2.C19H16N2O3.C17H26N2O2.C11H17N3.C11H13NO.C7H6INO2.C5H12N2O2.C2H6.CH4.ClH/c1-34-28(33)26-12-14-29-17-23(26)16-24-18-30-32(27(24)22-10-6-3-7-11-22)25-13-15-31(20-25)19-21-8-4-2-5-9-21;32-27(33)25-11-13-28-16-22(25)15-23-17-29-31(26(23)21-9-5-2-6-10-21)24-12-14-30(19-24)18-20-7-3-1-4-8-20;22-19-13-23-25(20(19)17-9-5-2-6-10-17)18-11-12-24(14-18)21(26)27-15-16-7-3-1-4-8-16;1-20(2)12-16(17(22)13-8-4-3-5-9-13)21-18(23)14-10-6-7-11-15(14)19(21)24;1-17(2,3)21-16(20)11-18-15-9-10-19(13-15)12-14-7-5-4-6-8-14;12-13-11-6-7-14(9-11)8-10-4-2-1-3-5-10;13-11-6-7-12(9-11)8-10-4-2-1-3-5-10;1-11-7(10)5-2-3-9-4-6(5)8;1-5(2,3)9-4(8)7-6;1-2;;/h2-12,14,17-18,25H,13,15-16,19-20H2,1H3;1-11,13,16-17,24H,12,14-15,18-19H2,(H,32,33);1-10,13,18H,11-12,14-15,22H2;3-12H,1-2H3;4-8,15,18H,9-13H2,1-3H3;1-5,11,13H,6-9,12H2;1-5H,6-9H2;2-4H,1H3;6H2,1-3H3,(H,7,8);1-2H3;1H4;1H.
What are the key properties of benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride?
benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride has a molecular weight of 2708.56 g/mol, XLogP of 24.05, 33 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-amino-5-phenylpyrazol-1-yl)pyrrolidine-1-carboxylate;1-benzylpyrrolidin-3-one;(1-benzylpyrrolidin-3-yl)hydrazine;3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;tert-butyl N-aminocarbamate;tert-butyl 2-[(1-benzylpyrrolidin-3-yl)amino]acetate;2-[1-(dimethylamino)-3-oxo-3-phenylprop-1-en-2-yl]isoindole-1,3-dione;ethane;methane;methyl 3-[[1-(1-benzylpyrrolidin-3-yl)-5-phenylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-iodopyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 160510884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).