2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone

C25H38ClN5O2 — CID 143061747

About 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone

2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 143061747) has the molecular formula C25H38ClN5O2 and a molecular weight of 476.07 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone
• PubChem CID: 143061747
• Molecular Formula: C25H38ClN5O2
• Molecular Weight: 476.07 g/mol
• Exact Mass: 475.27
• IUPAC Name: 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone
• SMILES: CCCCCN(C)c1nn(CC(=O)N2CCN(c3ccc(CC)c(OC)c3)CC2)c(C)c1Cl
• InChI: InChI=1S/C25H38ClN5O2/c1-6-8-9-12-28(4)25-24(26)19(3)31(27-25)18-23(32)30-15-13-29(14-16-30)21-11-10-20(7-2)22(17-21)33-5/h10-11,17H,6-9,12-16,18H2,1-5H3
• InChIKey: SFYFPKBRKJJQIE-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 53.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.07
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone (CID 143061747) is 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone is CCCCCN(C)c1nn(CC(=O)N2CCN(c3ccc(CC)c(OC)c3)CC2)c(C)c1Cl.

What is the InChIKey of 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone?

The InChIKey is SFYFPKBRKJJQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38ClN5O2/c1-6-8-9-12-28(4)25-24(26)19(3)31(27-25)18-23(32)30-15-13-29(14-16-30)21-11-10-20(7-2)22(17-21)33-5/h10-11,17H,6-9,12-16,18H2,1-5H3.

What are the key properties of 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone?

2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 476.07 g/mol, XLogP of 4.39, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-5-methyl-3-[methyl(pentyl)amino]pyrazol-1-yl]-1-[4-(4-ethyl-3-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 143061747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).