[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate

C27H24N4O5 — CID 46661995

About [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate (PubChem CID 46661995) has the molecular formula C27H24N4O5 and a molecular weight of 484.51 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
• PubChem CID: 46661995
• Molecular Formula: C27H24N4O5
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.17
• IUPAC Name: [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate
• SMILES: COc1ccc(C2=NN(C(=O)COC(=O)c3cnn(-c4ccccc4)c3C)C(c3ccco3)C2)cc1
• InChI: InChI=1S/C27H24N4O5/c1-18-22(16-28-30(18)20-7-4-3-5-8-20)27(33)36-17-26(32)31-24(25-9-6-14-35-25)15-23(29-31)19-10-12-21(34-2)13-11-19/h3-14,16,24H,15,17H2,1-2H3
• InChIKey: WLSFQWXDBDLTPU-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 99.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	4.32
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-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate?

The IUPAC name of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate (CID 46661995) is [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate.

What is the SMILES notation for [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate?

The canonical SMILES for [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate is COc1ccc(C2=NN(C(=O)COC(=O)c3cnn(-c4ccccc4)c3C)C(c3ccco3)C2)cc1.

What is the InChIKey of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate?

The InChIKey is WLSFQWXDBDLTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O5/c1-18-22(16-28-30(18)20-7-4-3-5-8-20)27(33)36-17-26(32)31-24(25-9-6-14-35-25)15-23(29-31)19-10-12-21(34-2)13-11-19/h3-14,16,24H,15,17H2,1-2H3.

What are the key properties of [2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate?

[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 484.51 g/mol, XLogP of 4.32, 7 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-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 46661995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).