2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide

C21H29ClN6O2 — CID 134041915

About 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide

2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 134041915) has the molecular formula C21H29ClN6O2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
• PubChem CID: 134041915
• Molecular Formula: C21H29ClN6O2
• Molecular Weight: 432.96 g/mol
• Exact Mass: 432.20
• IUPAC Name: 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide
• SMILES: CCCNC(=O)CN1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1
• InChI: InChI=1S/C21H29ClN6O2/c1-2-8-23-20(29)15-26-10-12-27(13-11-26)16-21(30)25-19-7-9-24-28(19)14-17-5-3-4-6-18(17)22/h3-7,9H,2,8,10-16H2,1H3,(H,23,29)(H,25,30)
• InChIKey: GYAPXUCJBKECSI-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 82.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.96
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide?

The IUPAC name of 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide (CID 134041915) is 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide.

What is the SMILES notation for 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide?

The canonical SMILES for 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(CC(=O)Nc2ccnn2Cc2ccccc2Cl)CC1.

What is the InChIKey of 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide?

The InChIKey is GYAPXUCJBKECSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN6O2/c1-2-8-23-20(29)15-26-10-12-27(13-11-26)16-21(30)25-19-7-9-24-28(19)14-17-5-3-4-6-18(17)22/h3-7,9H,2,8,10-16H2,1H3,(H,23,29)(H,25,30).

What are the key properties of 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide?

2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 432.96 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 134041915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).