N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide

C29H46N4O3 — CID 4570795

About N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide

N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide (PubChem CID 4570795) has the molecular formula C29H46N4O3 and a molecular weight of 498.71 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide.

Molecular Properties

• Compound Name: N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide
• PubChem CID: 4570795
• Molecular Formula: C29H46N4O3
• Molecular Weight: 498.71 g/mol
• Exact Mass: 498.36
• IUPAC Name: N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide
• SMILES: CCCCCCCCCC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1)C(C)C
• InChI: InChI=1S/C29H46N4O3/c1-8-9-10-11-12-13-14-15-28(35)32(22(2)3)21-27(34)30-26-20-25(29(4,5)6)31-33(26)23-16-18-24(36-7)19-17-23/h16-20,22H,8-15,21H2,1-7H3,(H,30,34)
• InChIKey: CNMDNAQNFGACBO-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.71
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide?

The IUPAC name of N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide (CID 4570795) is N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide.

What is the SMILES notation for N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide?

The canonical SMILES for N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide is CCCCCCCCCC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1)C(C)C.

What is the InChIKey of N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide?

The InChIKey is CNMDNAQNFGACBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O3/c1-8-9-10-11-12-13-14-15-28(35)32(22(2)3)21-27(34)30-26-20-25(29(4,5)6)31-33(26)23-16-18-24(36-7)19-17-23/h16-20,22H,8-15,21H2,1-7H3,(H,30,34).

What are the key properties of N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide?

N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide has a molecular weight of 498.71 g/mol, XLogP of 6.49, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-yldecanamide is sourced from PubChem (CID 4570795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).