[2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid

C28H37N7O5 — CID 146597847

About [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid

[2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid (PubChem CID 146597847) has the molecular formula C28H37N7O5 and a molecular weight of 551.65 g/mol. Its IUPAC name is [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid.

Molecular Properties

• Compound Name: [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid
• PubChem CID: 146597847
• Molecular Formula: C28H37N7O5
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.29
• IUPAC Name: [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid
• SMILES: Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCN(C(=O)CNC(=O)O)CC4)c4c3CCC4)CC2)c1C
• InChI: InChI=1S/C28H37N7O5/c1-19-5-3-7-22(20(19)2)31-9-11-33(12-10-31)25(37)18-35-23-8-4-6-21(23)26(30-35)27(38)34-15-13-32(14-16-34)24(36)17-29-28(39)40/h3,5,7,29H,4,6,8-18H2,1-2H3,(H,39,40)
• InChIKey: NOHYSWCQACRDCX-UHFFFAOYSA-N
• XLogP: 0.89
• TPSA: 131.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	0.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid?

The IUPAC name of [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid (CID 146597847) is [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid.

What is the SMILES notation for [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid?

The canonical SMILES for [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid is Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCN(C(=O)CNC(=O)O)CC4)c4c3CCC4)CC2)c1C.

What is the InChIKey of [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid?

The InChIKey is NOHYSWCQACRDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O5/c1-19-5-3-7-22(20(19)2)31-9-11-33(12-10-31)25(37)18-35-23-8-4-6-21(23)26(30-35)27(38)34-15-13-32(14-16-34)24(36)17-29-28(39)40/h3,5,7,29H,4,6,8-18H2,1-2H3,(H,39,40).

What are the key properties of [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid?

[2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid has a molecular weight of 551.65 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperazin-1-yl]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 146597847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).