3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide

C27H25N7O4 — CID 122305216

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide (PubChem CID 122305216) has the molecular formula C27H25N7O4 and a molecular weight of 511.54 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
• PubChem CID: 122305216
• Molecular Formula: C27H25N7O4
• Molecular Weight: 511.54 g/mol
• Exact Mass: 511.20
• IUPAC Name: 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
• SMILES: COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(-n5ccc(C)n5)nn4)cc3)n(C)n2)c1
• InChI: InChI=1S/C27H25N7O4/c1-17-13-14-34(31-17)25-11-12-26(30-29-25)38-19-7-5-18(6-8-19)28-27(35)23-16-22(32-33(23)2)21-15-20(36-3)9-10-24(21)37-4/h5-16H,1-4H3,(H,28,35)
• InChIKey: QRPZCEUPGZNUHT-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 118.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.54
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide?

The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide (CID 122305216) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide.

What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide?

The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(Oc4ccc(-n5ccc(C)n5)nn4)cc3)n(C)n2)c1.

What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide?

The InChIKey is QRPZCEUPGZNUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O4/c1-17-13-14-34(31-17)25-11-12-26(30-29-25)38-19-7-5-18(6-8-19)28-27(35)23-16-22(32-33(23)2)21-15-20(36-3)9-10-24(21)37-4/h5-16H,1-4H3,(H,28,35).

What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide?

3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide has a molecular weight of 511.54 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122305216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).