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

C51H66N10O5Si — CID 159232177

IUPAC1-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
SMILESCC1CCCC12CCc1c(C(=O)O)nn(COCC[Si](C)(C)C)c1C2.Nc1cnn(Cc2ccccc2)c1.O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CCCC1=O)C2
InChIInChI=1S/C22H23N5O2.C19H32N2O3Si.C10H11N3/c28-19-7-4-9-22(19)10-8-17-18(11-22)25-26-20(17)21(29)24-16-12-23-27(14-16)13-15-5-2-1-3-6-15;1-14-6-5-8-19(14)9-7-15-16(12-19)21(20-17(15)18(22)23)13-24-10-11-25(2,3)4;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-3,5-6,12,14H,4,7-11,13H2,(H,24,29)(H,25,26);14H,5-13H2,1-4H3,(H,22,23);1-6,8H,7,11H2
InChIKeyKTATXYLEVYZETP-UHFFFAOYSA-N
MW927.24 g/mol
LogP8.84
Rot. Bonds12

About 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

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 (PubChem CID 159232177) has the molecular formula C51H66N10O5Si and a molecular weight of 927.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID159232177
Molecular FormulaC51H66N10O5Si
Molecular Weight927.24 g/mol
Exact Mass926.50
IUPAC Name1-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
SMILESCC1CCCC12CCc1c(C(=O)O)nn(COCC[Si](C)(C)C)c1C2.Nc1cnn(Cc2ccccc2)c1.O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CCCC1=O)C2
InChIInChI=1S/C22H23N5O2.C19H32N2O3Si.C10H11N3/c28-19-7-4-9-22(19)10-8-17-18(11-22)25-26-20(17)21(29)24-16-12-23-27(14-16)13-15-5-2-1-3-6-15;1-14-6-5-8-19(14)9-7-15-16(12-19)21(20-17(15)18(22)23)13-24-10-11-25(2,3)4;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-3,5-6,12,14H,4,7-11,13H2,(H,24,29)(H,25,26);14H,5-13H2,1-4H3,(H,22,23);1-6,8H,7,11H2
InChIKeyKTATXYLEVYZETP-UHFFFAOYSA-N
XLogP8.84
TPSA200.86 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.24
LogP ≤ 58.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
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
N-[1-(2-hydroxy-1-phenylethyl)pyrazol-4-yl]-6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxamide
CID 131742689
6-hydroxy-N-[1-[[3-(methylamino)phenyl]methyl]pyrazol-4-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 147064875
N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
CID 131741405
1-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 90037130
1-benzyl-N-[3-(oxolan-2-ylmethoxy)propyl]pyrazole-4-carboxamide
CID 86909424

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CCCC12CCc1c(C(=O)O)nn(COCC[Si](C)(C)C)c1C2.Nc1cnn(Cc2ccccc2)c1.O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CCCC1=O)C2.
What is the InChIKey of 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?
The InChIKey is KTATXYLEVYZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C19H32N2O3Si.C10H11N3/c28-19-7-4-9-22(19)10-8-17-18(11-22)25-26-20(17)21(29)24-16-12-23-27(14-16)13-15-5-2-1-3-6-15;1-14-6-5-8-19(14)9-7-15-16(12-19)21(20-17(15)18(22)23)13-24-10-11-25(2,3)4;11-10-6-12-13(8-10)7-9-4-2-1-3-5-9/h1-3,5-6,12,14H,4,7-11,13H2,(H,24,29)(H,25,26);14H,5-13H2,1-4H3,(H,22,23);1-6,8H,7,11H2.
What are the key properties of 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?
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 has a molecular weight of 927.24 g/mol, XLogP of 8.84, 12 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159232177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).