1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid

C48H62N10O6Si — CID 159303354

About 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid

1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid (PubChem CID 159303354) has the molecular formula C48H62N10O6Si and a molecular weight of 903.17 g/mol. Its IUPAC name is 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid
• PubChem CID: 159303354
• Molecular Formula: C48H62N10O6Si
• Molecular Weight: 903.17 g/mol
• Exact Mass: 902.46
• IUPAC Name: 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid
• SMILES: C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1CC1(CCOC1)CC2.Nc1cnn(Cc2ccccc2)c1.O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CCOC1)C2
• InChI: InChI=1S/C21H23N5O2.C17H28N2O4Si.C10H11N3/c27-20(23-16-11-22-26(13-16)12-15-4-2-1-3-5-15)19-17-6-7-21(8-9-28-14-21)10-18(17)24-25-19;1-24(2,3)9-8-23-12-19-14-10-17(6-7-22-11-17)5-4-13(14)15(18-19)16(20)21;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-5,11,13H,6-10,12,14H2,(H,23,27)(H,24,25);4-12H2,1-3H3,(H,20,21);1-6,8H,7,11H2
• InChIKey: LBPKGIHLVNWFOU-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 202.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	903.17
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

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 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid?

The IUPAC name of 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid (CID 159303354) is 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid.

What is the SMILES notation for 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid?

The canonical SMILES for 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid is C[Si](C)(C)CCOCn1nc(C(=O)O)c2c1CC1(CCOC1)CC2.Nc1cnn(Cc2ccccc2)c1.O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CCOC1)C2.

What is the InChIKey of 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid?

The InChIKey is LBPKGIHLVNWFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2.C17H28N2O4Si.C10H11N3/c27-20(23-16-11-22-26(13-16)12-15-4-2-1-3-5-15)19-17-6-7-21(8-9-28-14-21)10-18(17)24-25-19;1-24(2,3)9-8-23-12-19-14-10-17(6-7-22-11-17)5-4-13(14)15(18-19)16(20)21;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-5,11,13H,6-10,12,14H2,(H,23,27)(H,24,25);4-12H2,1-3H3,(H,20,21);1-6,8H,7,11H2.

What are the key properties of 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid?

1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid has a molecular weight of 903.17 g/mol, XLogP of 7.10, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)spiro[1,4,5,7-tetrahydroindazole-6,3'-oxolane]-3-carboxamide;1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,3'-oxolane]-3-carboxylic acid is sourced from PubChem (CID 159303354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).