1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide

C27H25N5O2 — CID 19272826

About 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide

1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19272826) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19272826
• Molecular Formula: C27H25N5O2
• Molecular Weight: 451.53 g/mol
• Exact Mass: 451.20
• IUPAC Name: 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: Cc1ccc(C)c(OCn2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)n2)c1
• InChI: InChI=1S/C27H25N5O2/c1-19-10-11-20(2)26(14-19)34-18-31-13-12-25(30-31)27(33)29-23-15-28-32(17-23)16-22-8-5-7-21-6-3-4-9-24(21)22/h3-15,17H,16,18H2,1-2H3,(H,29,33)
• InChIKey: HPLYNNBZCSRHBJ-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.53
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 19272826) is 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is Cc1ccc(C)c(OCn2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)n2)c1.

What is the InChIKey of 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?

The InChIKey is HPLYNNBZCSRHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-19-10-11-20(2)26(14-19)34-18-31-13-12-25(30-31)27(33)29-23-15-28-32(17-23)16-22-8-5-7-21-6-3-4-9-24(21)22/h3-15,17H,16,18H2,1-2H3,(H,29,33).

What are the key properties of 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide?

1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19272826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).