1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide

C27H25N5O4 — CID 19277188

About 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide

1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19277188) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
• PubChem CID: 19277188
• Molecular Formula: C27H25N5O4
• Molecular Weight: 483.53 g/mol
• Exact Mass: 483.19
• IUPAC Name: 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide
• SMILES: COc1cccc(OC)c1OCn1ccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)n1
• InChI: InChI=1S/C27H25N5O4/c1-34-23-11-6-12-24(35-2)26(23)36-18-32-15-13-22(29-32)27(33)28-25-14-16-31(30-25)17-20-9-5-8-19-7-3-4-10-21(19)20/h3-16H,17-18H2,1-2H3,(H,28,30,33)
• InChIKey: JXANYDDERDNFFZ-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 92.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.53
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide (CID 19277188) is 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide is COc1cccc(OC)c1OCn1ccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)n1.

What is the InChIKey of 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide?

The InChIKey is JXANYDDERDNFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-34-23-11-6-12-24(35-2)26(23)36-18-32-15-13-22(29-32)27(33)28-25-14-16-31(30-25)17-20-9-5-8-19-7-3-4-10-21(19)20/h3-16H,17-18H2,1-2H3,(H,28,30,33).

What are the key properties of 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide?

1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,6-dimethoxyphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).