1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone

C23H29N3O3 — CID 100717016

About 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone

1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone (PubChem CID 100717016) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone
• PubChem CID: 100717016
• Molecular Formula: C23H29N3O3
• Molecular Weight: 395.50 g/mol
• Exact Mass: 395.22
• IUPAC Name: 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone
• SMILES: Cc1ccc(C2=NN(C(=O)CN[C@@H]3CCC[C@@H]3CCO)[C@@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C23H29N3O3/c1-16-7-9-18(10-8-16)20-14-21(22-6-3-13-29-22)26(25-20)23(28)15-24-19-5-2-4-17(19)11-12-27/h3,6-10,13,17,19,21,24,27H,2,4-5,11-12,14-15H2,1H3/t17-,19-,21-/m1/s1
• InChIKey: RECGKHKTNWYHIM-YFVAEKQCSA-N
• XLogP: 3.41
• TPSA: 78.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.50
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone?

The IUPAC name of 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone (CID 100717016) is 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone.

What is the SMILES notation for 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone?

The canonical SMILES for 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone is Cc1ccc(C2=NN(C(=O)CN[C@@H]3CCC[C@@H]3CCO)[C@@H](c3ccco3)C2)cc1.

What is the InChIKey of 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone?

The InChIKey is RECGKHKTNWYHIM-YFVAEKQCSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-16-7-9-18(10-8-16)20-14-21(22-6-3-13-29-22)26(25-20)23(28)15-24-19-5-2-4-17(19)11-12-27/h3,6-10,13,17,19,21,24,27H,2,4-5,11-12,14-15H2,1H3/t17-,19-,21-/m1/s1.

What are the key properties of 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone?

1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone has a molecular weight of 395.50 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-[[(1R,2R)-2-(2-hydroxyethyl)cyclopentyl]amino]ethanone is sourced from PubChem (CID 100717016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).