N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C34H43FN6O3Si — CID 164806391

About N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 164806391) has the molecular formula C34H43FN6O3Si and a molecular weight of 630.84 g/mol. Its IUPAC name is N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 164806391
• Molecular Formula: C34H43FN6O3Si
• Molecular Weight: 630.84 g/mol
• Exact Mass: 630.31
• IUPAC Name: N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
• SMILES: Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)[C@H]2CCCc3c(F)cccc32)cc1
• InChI: InChI=1S/C34H43FN6O3Si/c1-22-31(23(2)41(39-22)21-44-19-20-45(4,5)6)24-13-15-25(16-14-24)37-34(43)32(38-33(42)30-17-18-36-40(30)3)28-11-7-10-27-26(28)9-8-12-29(27)35/h8-9,12-18,28,32H,7,10-11,19-21H2,1-6H3,(H,37,43)(H,38,42)/t28-,32?/m0/s1
• InChIKey: XZFHLOZCVBKTAZ-MLAKCTNMSA-N
• XLogP: 6.21
• TPSA: 103.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.84
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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 N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 164806391) is N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)[C@H]2CCCc3c(F)cccc32)cc1.

What is the InChIKey of N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

The InChIKey is XZFHLOZCVBKTAZ-MLAKCTNMSA-N. The full InChI is InChI=1S/C34H43FN6O3Si/c1-22-31(23(2)41(39-22)21-44-19-20-45(4,5)6)24-13-15-25(16-14-24)37-34(43)32(38-33(42)30-17-18-36-40(30)3)28-11-7-10-27-26(28)9-8-12-29(27)35/h8-9,12-18,28,32H,7,10-11,19-21H2,1-6H3,(H,37,43)(H,38,42)/t28-,32?/m0/s1.

What are the key properties of N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?

N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 630.84 g/mol, XLogP of 6.21, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-[(1S)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164806391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).