1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate

C95H108ClFN20O14 — CID 157128276

IUPAC1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.COC(=O)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C(N1CCCC1)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C(N1CCCC1)C1(O)CCN(c2ccn[nH]2)C1.O=C(O)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C1CCN(c2ccn(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H15ClFN3O3.C19H24N4O2.C16H19N3O3.C15H17N3O3.C14H15N3O.C12H18N4O2/c1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;24-18(21-10-4-5-11-21)19(25)9-13-22(15-19)17-8-12-23(20-17)14-16-6-2-1-3-7-16;1-22-15(20)16(21)8-10-18(12-16)14-7-9-19(17-14)11-13-5-3-2-4-6-13;19-14(20)15(21)7-9-17(11-15)13-6-8-18(16-13)10-12-4-2-1-3-5-12;18-13-6-8-16(11-13)14-7-9-17(15-14)10-12-4-2-1-3-5-12;17-11(15-6-1-2-7-15)12(18)4-8-16(9-12)10-3-5-13-14-10/h4-7H,9H2,1-3H3;1-3,6-8,12,25H,4-5,9-11,13-15H2;2-7,9,21H,8,10-12H2,1H3;1-6,8,21H,7,9-11H2,(H,19,20);1-5,7,9H,6,8,10-11H2;3,5,18H,1-2,4,6-9H2,(H,13,14)
InChIKeyAITIXJSJIOPMPV-UHFFFAOYSA-N
MW1808.49 g/mol
LogP9.49
Rot. Bonds18

About 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate

1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate (PubChem CID 157128276) has the molecular formula C95H108ClFN20O14 and a molecular weight of 1808.49 g/mol. Its IUPAC name is 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate.

Molecular Properties

Compound Name1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate
PubChem CID157128276
Molecular FormulaC95H108ClFN20O14
Molecular Weight1808.49 g/mol
Exact Mass1806.80
IUPAC Name1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.COC(=O)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C(N1CCCC1)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C(N1CCCC1)C1(O)CCN(c2ccn[nH]2)C1.O=C(O)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C1CCN(c2ccn(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H15ClFN3O3.C19H24N4O2.C16H19N3O3.C15H17N3O3.C14H15N3O.C12H18N4O2/c1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;24-18(21-10-4-5-11-21)19(25)9-13-22(15-19)17-8-12-23(20-17)14-16-6-2-1-3-7-16;1-22-15(20)16(21)8-10-18(12-16)14-7-9-19(17-14)11-13-5-3-2-4-6-13;19-14(20)15(21)7-9-17(11-15)13-6-8-18(16-13)10-12-4-2-1-3-5-12;18-13-6-8-16(11-13)14-7-9-17(15-14)10-12-4-2-1-3-5-12;17-11(15-6-1-2-7-15)12(18)4-8-16(9-12)10-3-5-13-14-10/h4-7H,9H2,1-3H3;1-3,6-8,12,25H,4-5,9-11,13-15H2;2-7,9,21H,8,10-12H2,1H3;1-6,8,21H,7,9-11H2,(H,19,20);1-5,7,9H,6,8,10-11H2;3,5,18H,1-2,4,6-9H2,(H,13,14)
InChIKeyAITIXJSJIOPMPV-UHFFFAOYSA-N
XLogP9.49
TPSA401.66 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001808.49
LogP ≤ 59.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate with MolForge

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Related Compounds

2-[4-[3-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl N-[(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate;methane
CID 159825368
tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl N-[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate)
CID 159860798
1-(1-benzylpyrazol-3-yl)-4,4-difluoro-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxy-3-phenylmethoxypiperidine;1-(1-benzylpyrazol-3-yl)-4,4-dimethoxypiperidin-3-ol;1-(1-benzylpyrazol-3-yl)-3-phenylmethoxypiperidin-4-one;1-(1-benzylpyrazol-3-yl)piperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethylbenzene;4-fluoro-1-(1H-pyrazol-5-yl)piperidin-3-ol
CID 160676193
2-[4-[3-[(3S)-3-amino-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl N-[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate)
CID 160723281
2-[4-[3-[(3R)-3-amino-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)piperidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl N-[(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate
CID 161772490
tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-(hydroxymethyl)morpholin-4-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tris([(3S)-4-(1H-pyrazol-5-yl)morpholin-3-yl]methanol);[(3R)-4-(1H-pyrazol-5-yl)morpholin-3-yl]methanol
CID 157069262
1-benzylpyrazol-3-amine;2-[(1-benzylpyrazol-3-yl)amino]ethanol;4-(1-benzylpyrazol-3-yl)-1,4-oxazepan-6-ol;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;2-(chloromethyl)oxirane;ethyl 2-[(1-benzylpyrazol-3-yl)amino]acetate;ethyl 2-bromoacetate;4-(1H-pyrazol-5-yl)-1,4-oxazepan-6-ol
CID 157070909
2-[4-[3-[(3aR,6aS)-2-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;(3aR,6aS)-2-methyl-5-(1H-pyrazol-5-yl)-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole;tert-butyl 4-[3-[(3aR,6aS)-2-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-5-yl]pyrazol-1-yl]-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 157099706
acetaldehyde;1-benzylpyrazol-3-amine;1-(1-benzylpyrazol-3-yl)-2,6-dimethylpiperidin-4-ol;1-(1-benzylpyrazol-3-yl)-2,6-dimethylpiperidin-4-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;2,6-dimethyl-1-(1H-pyrazol-5-yl)piperidin-4-ol;methyl 5-acetyl-1-(1-benzylpyrazol-3-yl)-2,6-dimethyl-4-oxopiperidine-3-carboxylate;methyl 3,5-dioxohexanoate
CID 157123360
1-benzylpyrazol-3-amine;3-[(1-benzylpyrazol-3-yl)amino]propanenitrile;4-(1-benzylpyrazol-3-yl)-1,4-diazepan-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-5-oxo-4-[3-(3-oxo-1,4-diazepan-1-yl)pyrazol-1-yl]-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;ethyl 2-[(1-benzylpyrazol-3-yl)-(2-cyanoethyl)amino]acetate;3-fluoro-2-[5-oxo-4-[3-(3-oxo-1,4-diazepan-1-yl)pyrazol-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;4-(1H-pyrazol-5-yl)-1,4-diazepan-2-one
CID 157225318
1-benzyl-3-bromopyrazole;(3S)-1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-2-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3S)-3-hydroxy-2-oxopyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;(3S)-3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-2-one;(3S)-3-hydroxypyrrolidin-2-one
CID 157265698
tert-butyl 2-(2-cyano-6-fluorophenyl)-4-[3-[(3R,4S)-3-hydroxy-4-(trideuteriomethoxy)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;3-fluoro-2-[4-[3-[(3R,4S)-3-hydroxy-4-(trideuteriomethoxy)pyrrolidin-1-yl]pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
CID 157266014

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate?
The IUPAC name of 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate (CID 157128276) is 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate.
What is the SMILES notation for 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate?
The canonical SMILES for 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate is CC(C)(C)OC(=O)N1Cc2nc(-c3c(F)cccc3C#N)cc(Cl)c2C1=O.COC(=O)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C(N1CCCC1)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C(N1CCCC1)C1(O)CCN(c2ccn[nH]2)C1.O=C(O)C1(O)CCN(c2ccn(Cc3ccccc3)n2)C1.O=C1CCN(c2ccn(Cc3ccccc3)n2)C1.
What is the InChIKey of 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate?
The InChIKey is AITIXJSJIOPMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3.C19H24N4O2.C16H19N3O3.C15H17N3O3.C14H15N3O.C12H18N4O2/c1-19(2,3)27-18(26)24-9-14-16(17(24)25)11(20)7-13(23-14)15-10(8-22)5-4-6-12(15)21;24-18(21-10-4-5-11-21)19(25)9-13-22(15-19)17-8-12-23(20-17)14-16-6-2-1-3-7-16;1-22-15(20)16(21)8-10-18(12-16)14-7-9-19(17-14)11-13-5-3-2-4-6-13;19-14(20)15(21)7-9-17(11-15)13-6-8-18(16-13)10-12-4-2-1-3-5-12;18-13-6-8-16(11-13)14-7-9-17(15-14)10-12-4-2-1-3-5-12;17-11(15-6-1-2-7-15)12(18)4-8-16(9-12)10-3-5-13-14-10/h4-7H,9H2,1-3H3;1-3,6-8,12,25H,4-5,9-11,13-15H2;2-7,9,21H,8,10-12H2,1H3;1-6,8,21H,7,9-11H2,(H,19,20);1-5,7,9H,6,8,10-11H2;3,5,18H,1-2,4,6-9H2,(H,13,14).
What are the key properties of 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate?
1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate has a molecular weight of 1808.49 g/mol, XLogP of 9.49, 18 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylic acid;[1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;1-(1-benzylpyrazol-3-yl)pyrrolidin-3-one;tert-butyl 4-chloro-2-(2-cyano-6-fluorophenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridine-6-carboxylate;[3-hydroxy-1-(1H-pyrazol-5-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone;methyl 1-(1-benzylpyrazol-3-yl)-3-hydroxypyrrolidine-3-carboxylate is sourced from PubChem (CID 157128276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).