N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide

C24H33N5O3 — CID 55597701

About N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide

N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide (PubChem CID 55597701) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide
• PubChem CID: 55597701
• Molecular Formula: C24H33N5O3
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.26
• IUPAC Name: N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide
• SMILES: COCCCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)CC1
• InChI: InChI=1S/C24H33N5O3/c1-18-7-9-19(10-8-18)29-21-6-3-5-20(21)23(26-29)24(31)28-14-12-27(13-15-28)17-22(30)25-11-4-16-32-2/h7-10H,3-6,11-17H2,1-2H3,(H,25,30)
• InChIKey: AQWSZICHBYBEFH-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 79.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	1
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 N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide?

The IUPAC name of N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide (CID 55597701) is N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide.

What is the SMILES notation for N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide?

The canonical SMILES for N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide is COCCCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)CC1.

What is the InChIKey of N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide?

The InChIKey is AQWSZICHBYBEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-18-7-9-19(10-8-18)29-21-6-3-5-20(21)23(26-29)24(31)28-14-12-27(13-15-28)17-22(30)25-11-4-16-32-2/h7-10H,3-6,11-17H2,1-2H3,(H,25,30).

What are the key properties of N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide?

N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide has a molecular weight of 439.56 g/mol, XLogP of 1.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-2-[4-[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55597701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).