3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide

C29H30N4O6S — CID 123973683

About 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide

3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide (PubChem CID 123973683) has the molecular formula C29H30N4O6S and a molecular weight of 562.65 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide
• PubChem CID: 123973683
• Molecular Formula: C29H30N4O6S
• Molecular Weight: 562.65 g/mol
• Exact Mass: 562.19
• IUPAC Name: 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide
• SMILES: COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOC4)c3)c(-c3cccc(OC)c3)n2)c1
• InChI: InChI=1S/C29H30N4O6S/c1-20-10-11-23(16-27(20)40(35,36)33-12-13-39-19-33)30-29(34)26-18-32(17-21-6-4-8-24(14-21)37-2)31-28(26)22-7-5-9-25(15-22)38-3/h4-11,14-16,18H,12-13,17,19H2,1-3H3,(H,30,34)
• InChIKey: NICWLWHRIDPZDA-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 111.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.65
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide?

The IUPAC name of 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide (CID 123973683) is 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide?

The canonical SMILES for 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide is COc1cccc(Cn2cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOC4)c3)c(-c3cccc(OC)c3)n2)c1.

What is the InChIKey of 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide?

The InChIKey is NICWLWHRIDPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O6S/c1-20-10-11-23(16-27(20)40(35,36)33-12-13-39-19-33)30-29(34)26-18-32(17-21-6-4-8-24(14-21)37-2)31-28(26)22-7-5-9-25(15-22)38-3/h4-11,14-16,18H,12-13,17,19H2,1-3H3,(H,30,34).

What are the key properties of 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide?

3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 562.65 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-N-[4-methyl-3-(1,3-oxazolidin-3-ylsulfonyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 123973683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).