1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone

C24H27ClN4O4 — CID 41183863

About 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone

1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 41183863) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
• PubChem CID: 41183863
• Molecular Formula: C24H27ClN4O4
• Molecular Weight: 470.96 g/mol
• Exact Mass: 470.17
• IUPAC Name: 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
• SMILES: O=C([C@@H]1CCCO1)N1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1
• InChI: InChI=1S/C24H27ClN4O4/c25-18-7-5-17(6-8-18)19-15-20(21-3-1-13-32-21)29(26-19)23(30)16-27-9-11-28(12-10-27)24(31)22-4-2-14-33-22/h1,3,5-8,13,20,22H,2,4,9-12,14-16H2/t20-,22+/m1/s1
• InChIKey: FEUGIRUSRFSZDS-IRLDBZIGSA-N
• XLogP: 2.93
• TPSA: 78.59 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.96
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone (CID 41183863) is 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone is O=C([C@@H]1CCCO1)N1CCN(CC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)CC1.

What is the InChIKey of 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone?

The InChIKey is FEUGIRUSRFSZDS-IRLDBZIGSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c25-18-7-5-17(6-8-18)19-15-20(21-3-1-13-32-21)29(26-19)23(30)16-27-9-11-28(12-10-27)24(31)22-4-2-14-33-22/h1,3,5-8,13,20,22H,2,4,9-12,14-16H2/t20-,22+/m1/s1.

What are the key properties of 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone?

1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 470.96 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 41183863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).