N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

C22H33N7O3 — CID 60507692

About N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 60507692) has the molecular formula C22H33N7O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
• PubChem CID: 60507692
• Molecular Formula: C22H33N7O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.26
• IUPAC Name: N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
• SMILES: Cc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccnn3CC3CCCCC3)CC2)no1
• InChI: InChI=1S/C22H33N7O3/c1-17-13-19(26-32-17)24-21(30)15-27-9-11-28(12-10-27)16-22(31)25-20-7-8-23-29(20)14-18-5-3-2-4-6-18/h7-8,13,18H,2-6,9-12,14-16H2,1H3,(H,25,31)(H,24,26,30)
• InChIKey: XMQVKZRTLZSKLZ-UHFFFAOYSA-N
• XLogP: 1.95
• TPSA: 108.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The IUPAC name of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 60507692) is N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(CC(=O)Nc3ccnn3CC3CCCCC3)CC2)no1.

What is the InChIKey of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

The InChIKey is XMQVKZRTLZSKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N7O3/c1-17-13-19(26-32-17)24-21(30)15-27-9-11-28(12-10-27)16-22(31)25-20-7-8-23-29(20)14-18-5-3-2-4-6-18/h7-8,13,18H,2-6,9-12,14-16H2,1H3,(H,25,31)(H,24,26,30).

What are the key properties of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide?

N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60507692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).