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

C54H76N12O6Si — CID 159867358

About 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

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 (PubChem CID 159867358) has the molecular formula C54H76N12O6Si and a molecular weight of 1017.37 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159867358
• Molecular Formula: C54H76N12O6Si
• Molecular Weight: 1017.37 g/mol
• Exact Mass: 1016.58
• IUPAC Name: 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
• SMILES: CC1(C)CCc2c(C(=O)Nc3cnn(C(c4cccnc4)C4CCOCC4)c3)n[nH]c2C1.CC1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.Nc1cnn(C(c2cccnc2)C2CCOCC2)c1
• InChI: InChI=1S/C24H30N6O2.C16H28N2O3Si.C14H18N4O/c1-24(2)8-5-19-20(12-24)28-29-21(19)23(31)27-18-14-26-30(15-18)22(16-6-10-32-11-7-16)17-4-3-9-25-13-17;1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5;15-13-9-17-18(10-13)14(11-3-6-19-7-4-11)12-2-1-5-16-8-12/h3-4,9,13-16,22H,5-8,10-12H2,1-2H3,(H,27,31)(H,28,29);6-11H2,1-5H3,(H,19,20);1-2,5,8-11,14H,3-4,6-7,15H2
• InChIKey: NRXBHGIDEDGZSI-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 228.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.37
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)CCc2c(C(=O)Nc3cnn(C(c4cccnc4)C4CCOCC4)c3)n[nH]c2C1.CC1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.Nc1cnn(C(c2cccnc2)C2CCOCC2)c1.

What is the InChIKey of 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?

The InChIKey is NRXBHGIDEDGZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2.C16H28N2O3Si.C14H18N4O/c1-24(2)8-5-19-20(12-24)28-29-21(19)23(31)27-18-14-26-30(15-18)22(16-6-10-32-11-7-16)17-4-3-9-25-13-17;1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5;15-13-9-17-18(10-13)14(11-3-6-19-7-4-11)12-2-1-5-16-8-12/h3-4,9,13-16,22H,5-8,10-12H2,1-2H3,(H,27,31)(H,28,29);6-11H2,1-5H3,(H,19,20);1-2,5,8-11,14H,3-4,6-7,15H2.

What are the key properties of 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?

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 has a molecular weight of 1017.37 g/mol, XLogP of 9.07, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159867358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).