N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide

C30H38N4O6 — CID 98344156

About N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide

N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide (PubChem CID 98344156) has the molecular formula C30H38N4O6 and a molecular weight of 550.66 g/mol. Its IUPAC name is N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
• PubChem CID: 98344156
• Molecular Formula: C30H38N4O6
• Molecular Weight: 550.66 g/mol
• Exact Mass: 550.28
• IUPAC Name: N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide
• SMILES: COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1
• InChI: InChI=1S/C30H38N4O6/c1-37-24-9-6-21(7-10-24)25-19-26(23-8-11-27(38-2)28(18-23)39-3)34(31-25)29(35)20-33(30(36)22-4-5-22)13-12-32-14-16-40-17-15-32/h6-11,18,22,26H,4-5,12-17,19-20H2,1-3H3/t26-/m0/s1
• InChIKey: ORIICGGPNMSVPQ-SANMLTNESA-N
• XLogP: 2.96
• TPSA: 93.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.66
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

The IUPAC name of N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide (CID 98344156) is N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

The canonical SMILES for N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide is COc1ccc(C2=NN(C(=O)CN(CCN3CCOCC3)C(=O)C3CC3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1.

What is the InChIKey of N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

The InChIKey is ORIICGGPNMSVPQ-SANMLTNESA-N. The full InChI is InChI=1S/C30H38N4O6/c1-37-24-9-6-21(7-10-24)25-19-26(23-8-11-27(38-2)28(18-23)39-3)34(31-25)29(35)20-33(30(36)22-4-5-22)13-12-32-14-16-40-17-15-32/h6-11,18,22,26H,4-5,12-17,19-20H2,1-3H3/t26-/m0/s1.

What are the key properties of N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide?

N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide has a molecular weight of 550.66 g/mol, XLogP of 2.96, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)cyclopropanecarboxamide is sourced from PubChem (CID 98344156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).