1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid

C56H76N12O6Si — CID 158784388

IUPAC1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)Nc3cnn(C(CN4CCCC4=O)c4ccccc4)c3)n[nH]c2C1.CC1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.Nc1cnn(C(CN2CCCC2=O)c2ccccc2)c1
InChIInChI=1S/C25H30N6O2.C16H28N2O3Si.C15H18N4O/c1-25(2)11-10-19-20(13-25)28-29-23(19)24(33)27-18-14-26-31(15-18)21(17-7-4-3-5-8-17)16-30-12-6-9-22(30)32;1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5;16-13-9-17-19(10-13)14(12-5-2-1-3-6-12)11-18-8-4-7-15(18)20/h3-5,7-8,14-15,21H,6,9-13,16H2,1-2H3,(H,27,33)(H,28,29);6-11H2,1-5H3,(H,19,20);1-3,5-6,9-10,14H,4,7-8,11,16H2
InChIKeyIRMJYDXMCRHRFG-UHFFFAOYSA-N
MW1041.39 g/mol
LogP8.67
Rot. Bonds16

About 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid

1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid (PubChem CID 158784388) has the molecular formula C56H76N12O6Si and a molecular weight of 1041.39 g/mol. Its IUPAC name is 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
PubChem CID158784388
Molecular FormulaC56H76N12O6Si
Molecular Weight1041.39 g/mol
Exact Mass1040.58
IUPAC Name1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
SMILESCC1(C)CCc2c(C(=O)Nc3cnn(C(CN4CCCC4=O)c4ccccc4)c3)n[nH]c2C1.CC1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.Nc1cnn(C(CN2CCCC2=O)c2ccccc2)c1
InChIInChI=1S/C25H30N6O2.C16H28N2O3Si.C15H18N4O/c1-25(2)11-10-19-20(13-25)28-29-23(19)24(33)27-18-14-26-31(15-18)21(17-7-4-3-5-8-17)16-30-12-6-9-22(30)32;1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5;16-13-9-17-19(10-13)14(12-5-2-1-3-6-12)11-18-8-4-7-15(18)20/h3-5,7-8,14-15,21H,6,9-13,16H2,1-2H3,(H,27,33)(H,28,29);6-11H2,1-5H3,(H,19,20);1-3,5-6,9-10,14H,4,7-8,11,16H2
InChIKeyIRMJYDXMCRHRFG-UHFFFAOYSA-N
XLogP8.67
TPSA224.41 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.39
LogP ≤ 58.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid with MolForge

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Related Compounds

6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine
CID 162014645
6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1,1-dioxothian-3-yl)-phenylmethyl]pyrazol-4-amine;N-[1-[(1,1-dioxothian-3-yl)-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 158887953
1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-amine;N-[1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 160942325
6,6-dimethyl-N-[1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-amine
CID 159867358
N-[1-(2-hydroxy-1-phenylethyl)pyrazol-4-yl]-6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxamide
CID 131742689
N-[1-(3-amino-1-phenylpropyl)pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037626
N-[1-[(1S)-3-(dimethylamino)-1-phenylpropyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 74983355
N-[1-[2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037346
1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxamide;2'-methyl-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,1'-cyclopentane]-3-carboxylic acid
CID 159232177
3-[[1-[3-[ethyl(sulfino)amino]-1-phenylpropyl]pyrazol-4-yl]carbamoyl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole
CID 122669350
5a-methyl-1-(2-trimethylsilylethoxymethyl)-4,5,6,6a-tetrahydrocyclopropa[g]indazole-3-carboxylic acid;1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-5a-methyl-4,5,6,6a-tetrahydro-1H-cyclopropa[g]indazole-3-carboxamide
CID 159679837
6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 73293239

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid (CID 158784388) is 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid is CC1(C)CCc2c(C(=O)Nc3cnn(C(CN4CCCC4=O)c4ccccc4)c3)n[nH]c2C1.CC1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.Nc1cnn(C(CN2CCCC2=O)c2ccccc2)c1.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
The InChIKey is IRMJYDXMCRHRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2.C16H28N2O3Si.C15H18N4O/c1-25(2)11-10-19-20(13-25)28-29-23(19)24(33)27-18-14-26-31(15-18)21(17-7-4-3-5-8-17)16-30-12-6-9-22(30)32;1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5;16-13-9-17-19(10-13)14(12-5-2-1-3-6-12)11-18-8-4-7-15(18)20/h3-5,7-8,14-15,21H,6,9-13,16H2,1-2H3,(H,27,33)(H,28,29);6-11H2,1-5H3,(H,19,20);1-3,5-6,9-10,14H,4,7-8,11,16H2.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid?
1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid has a molecular weight of 1041.39 g/mol, XLogP of 8.67, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid is sourced from PubChem (CID 158784388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).