N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide

C32H37N3O6 — CID 98441723

About N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide

N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 98441723) has the molecular formula C32H37N3O6 and a molecular weight of 559.66 g/mol. Its IUPAC name is N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
• PubChem CID: 98441723
• Molecular Formula: C32H37N3O6
• Molecular Weight: 559.66 g/mol
• Exact Mass: 559.27
• IUPAC Name: N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide
• SMILES: COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1
• InChI: InChI=1S/C32H37N3O6/c1-21-7-8-24(17-22(21)2)27-19-28(25-11-14-29(40-5)30(18-25)41-6)35(33-27)31(36)20-34(15-16-38-3)32(37)23-9-12-26(39-4)13-10-23/h7-14,17-18,28H,15-16,19-20H2,1-6H3/t28-/m0/s1
• InChIKey: QLNOODQBJURRGZ-NDEPHWFRSA-N
• XLogP: 4.80
• TPSA: 89.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.66
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide?

The IUPAC name of N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide (CID 98441723) is N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide?

The canonical SMILES for N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(OC)c(OC)c1)C(=O)c1ccc(OC)cc1.

What is the InChIKey of N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide?

The InChIKey is QLNOODQBJURRGZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C32H37N3O6/c1-21-7-8-24(17-22(21)2)27-19-28(25-11-14-29(40-5)30(18-25)41-6)35(33-27)31(36)20-34(15-16-38-3)32(37)23-9-12-26(39-4)13-10-23/h7-14,17-18,28H,15-16,19-20H2,1-6H3/t28-/m0/s1.

What are the key properties of N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide?

N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 559.66 g/mol, XLogP of 4.80, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 98441723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).