3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

C52H56N16O4Si — CID 159710960

About 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid

3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (PubChem CID 159710960) has the molecular formula C52H56N16O4Si and a molecular weight of 997.21 g/mol. Its IUPAC name is 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
• PubChem CID: 159710960
• Molecular Formula: C52H56N16O4Si
• Molecular Weight: 997.21 g/mol
• Exact Mass: 996.44
• IUPAC Name: 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
• SMILES: C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1CC(c1cncnc1)CC2.N#Cc1cccc(Cn2cc(N)cn2)c1.N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CCC(c3cncnc3)C4)cn2)c1
• InChI: InChI=1S/C23H20N8O.C18H26N4O3Si.C11H10N4/c24-8-15-2-1-3-16(6-15)12-31-13-19(11-27-31)28-23(32)22-20-5-4-17(7-21(20)29-30-22)18-9-25-14-26-10-18;1-26(2,3)7-6-25-12-22-16-8-13(14-9-19-11-20-10-14)4-5-15(16)17(21-22)18(23)24;12-5-9-2-1-3-10(4-9)7-15-8-11(13)6-14-15/h1-3,6,9-11,13-14,17H,4-5,7,12H2,(H,28,32)(H,29,30);9-11,13H,4-8,12H2,1-3H3,(H,23,24);1-4,6,8H,7,13H2
• InChIKey: MYVGOENOQHVIEK-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 282.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	997.21
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

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 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?

The IUPAC name of 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid (CID 159710960) is 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid.

What is the SMILES notation for 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?

The canonical SMILES for 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1CC(c1cncnc1)CC2.N#Cc1cccc(Cn2cc(N)cn2)c1.N#Cc1cccc(Cn2cc(NC(=O)c3n[nH]c4c3CCC(c3cncnc3)C4)cn2)c1.

What is the InChIKey of 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?

The InChIKey is MYVGOENOQHVIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O.C18H26N4O3Si.C11H10N4/c24-8-15-2-1-3-16(6-15)12-31-13-19(11-27-31)28-23(32)22-20-5-4-17(7-21(20)29-30-22)18-9-25-14-26-10-18;1-26(2,3)7-6-25-12-22-16-8-13(14-9-19-11-20-10-14)4-5-15(16)17(21-22)18(23)24;12-5-9-2-1-3-10(4-9)7-15-8-11(13)6-14-15/h1-3,6,9-11,13-14,17H,4-5,7,12H2,(H,28,32)(H,29,30);9-11,13H,4-8,12H2,1-3H3,(H,23,24);1-4,6,8H,7,13H2.

What are the key properties of 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid?

3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid has a molecular weight of 997.21 g/mol, XLogP of 7.18, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-aminopyrazol-1-yl)methyl]benzonitrile;N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-6-pyrimidin-5-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;6-pyrimidin-5-yl-1-(2-trimethylsilylethoxymethyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid is sourced from PubChem (CID 159710960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).