[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

C26H27N5O4 — CID 55601840

About [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate

[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate (PubChem CID 55601840) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
• PubChem CID: 55601840
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate
• SMILES: Cc1ccc(C2=NN(C(=O)COC(=O)C3CCCCN3c3ncccn3)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C26H27N5O4/c1-18-8-10-19(11-9-18)20-16-22(23-7-4-15-34-23)31(29-20)24(32)17-35-25(33)21-6-2-3-14-30(21)26-27-12-5-13-28-26/h4-5,7-13,15,21-22H,2-3,6,14,16-17H2,1H3
• InChIKey: HJGLXUAYYZUJAJ-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 101.13 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?

The IUPAC name of [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate (CID 55601840) is [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate.

What is the SMILES notation for [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?

The canonical SMILES for [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate is Cc1ccc(C2=NN(C(=O)COC(=O)C3CCCCN3c3ncccn3)C(c3ccco3)C2)cc1.

What is the InChIKey of [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?

The InChIKey is HJGLXUAYYZUJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-18-8-10-19(11-9-18)20-16-22(23-7-4-15-34-23)31(29-20)24(32)17-35-25(33)21-6-2-3-14-30(21)26-27-12-5-13-28-26/h4-5,7-13,15,21-22H,2-3,6,14,16-17H2,1H3.

What are the key properties of [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate?

[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate has a molecular weight of 473.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 1-pyrimidin-2-ylpiperidine-2-carboxylate is sourced from PubChem (CID 55601840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).