N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide

C27H23N3O5 — CID 40943336

About N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide

N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide (PubChem CID 40943336) has the molecular formula C27H23N3O5 and a molecular weight of 469.50 g/mol. Its IUPAC name is N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
• PubChem CID: 40943336
• Molecular Formula: C27H23N3O5
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.16
• IUPAC Name: N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
• SMILES: Cc1ccc(C2=NN(C(=O)COc3ccc(NC(=O)c4ccco4)cc3)[C@@H](c3ccco3)C2)cc1
• InChI: InChI=1S/C27H23N3O5/c1-18-6-8-19(9-7-18)22-16-23(24-4-2-14-33-24)30(29-22)26(31)17-35-21-12-10-20(11-13-21)28-27(32)25-5-3-15-34-25/h2-15,23H,16-17H2,1H3,(H,28,32)/t23-/m1/s1
• InChIKey: OCLYLVBLRZGLSN-HSZRJFAPSA-N
• XLogP: 5.19
• TPSA: 97.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide (CID 40943336) is N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide is Cc1ccc(C2=NN(C(=O)COc3ccc(NC(=O)c4ccco4)cc3)[C@@H](c3ccco3)C2)cc1.

What is the InChIKey of N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?

The InChIKey is OCLYLVBLRZGLSN-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H23N3O5/c1-18-6-8-19(9-7-18)22-16-23(24-4-2-14-33-24)30(29-22)26(31)17-35-21-12-10-20(11-13-21)28-27(32)25-5-3-15-34-25/h2-15,23H,16-17H2,1H3,(H,28,32)/t23-/m1/s1.

What are the key properties of N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide?

N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide is sourced from PubChem (CID 40943336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).