N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide

C29H32ClN5O3 — CID 42736044

About N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide

N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide (PubChem CID 42736044) has the molecular formula C29H32ClN5O3 and a molecular weight of 534.06 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide.

Molecular Properties

• Compound Name: N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide
• PubChem CID: 42736044
• Molecular Formula: C29H32ClN5O3
• Molecular Weight: 534.06 g/mol
• Exact Mass: 533.22
• IUPAC Name: N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide
• SMILES: COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)C(=O)Nc1cccc2ccccc12
• InChI: InChI=1S/C29H32ClN5O3/c1-29(2,3)25-18-26(35(33-25)24-15-8-7-13-22(24)30)32-27(36)19-34(16-17-38-4)28(37)31-23-14-9-11-20-10-5-6-12-21(20)23/h5-15,18H,16-17,19H2,1-4H3,(H,31,37)(H,32,36)
• InChIKey: YMOSVNMKZJASHT-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.06
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide?

The IUPAC name of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide (CID 42736044) is N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide.

What is the SMILES notation for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide?

The canonical SMILES for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide is COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)C(=O)Nc1cccc2ccccc12.

What is the InChIKey of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide?

The InChIKey is YMOSVNMKZJASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN5O3/c1-29(2,3)25-18-26(35(33-25)24-15-8-7-13-22(24)30)32-27(36)19-34(16-17-38-4)28(37)31-23-14-9-11-20-10-5-6-12-21(20)23/h5-15,18H,16-17,19H2,1-4H3,(H,31,37)(H,32,36).

What are the key properties of N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide?

N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide has a molecular weight of 534.06 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-tert-butyl-1-(2-chlorophenyl)pyrazol-5-yl]-2-[2-methoxyethyl(naphthalen-1-ylcarbamoyl)amino]acetamide is sourced from PubChem (CID 42736044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).