3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide

C26H27N7O2 — CID 122354772

About 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide

3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide (PubChem CID 122354772) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
• PubChem CID: 122354772
• Molecular Formula: C26H27N7O2
• Molecular Weight: 469.55 g/mol
• Exact Mass: 469.22
• IUPAC Name: 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
• SMILES: COc1cccc(-c2cc(C(=O)Nc3ccc(Nc4cc(N5CCCC5)cnn4)cc3)n(C)n2)c1
• InChI: InChI=1S/C26H27N7O2/c1-32-24(16-23(31-32)18-6-5-7-22(14-18)35-2)26(34)29-20-10-8-19(9-11-20)28-25-15-21(17-27-30-25)33-12-3-4-13-33/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,28,30)(H,29,34)
• InChIKey: AASIELRZCNNTJH-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.55
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide?

The IUPAC name of 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide (CID 122354772) is 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide.

What is the SMILES notation for 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide?

The canonical SMILES for 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(Nc4cc(N5CCCC5)cnn4)cc3)n(C)n2)c1.

What is the InChIKey of 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide?

The InChIKey is AASIELRZCNNTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-32-24(16-23(31-32)18-6-5-7-22(14-18)35-2)26(34)29-20-10-8-19(9-11-20)28-25-15-21(17-27-30-25)33-12-3-4-13-33/h5-11,14-17H,3-4,12-13H2,1-2H3,(H,28,30)(H,29,34).

What are the key properties of 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide?

3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methoxyphenyl)-1-methyl-N-[4-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122354772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).