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

C25H19Cl2N5O2 — CID 19270210

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

1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19270210) has the molecular formula C25H19Cl2N5O2 and a molecular weight of 492.37 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19270210
• Molecular Formula: C25H19Cl2N5O2
• Molecular Weight: 492.37 g/mol
• Exact Mass: 491.09
• IUPAC Name: 1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccn(COc2ccc(Cl)cc2Cl)n1
• InChI: InChI=1S/C25H19Cl2N5O2/c26-19-8-9-24(22(27)12-19)34-16-31-11-10-23(30-31)25(33)29-20-13-28-32(15-20)14-18-6-3-5-17-4-1-2-7-21(17)18/h1-13,15H,14,16H2,(H,29,33)
• InChIKey: GKUZQJUUODHSLA-UHFFFAOYSA-N
• XLogP: 5.88
• 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	492.37
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 19270210) is 1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccn(COc2ccc(Cl)cc2Cl)n1.

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

The InChIKey is GKUZQJUUODHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O2/c26-19-8-9-24(22(27)12-19)34-16-31-11-10-23(30-31)25(33)29-20-13-28-32(15-20)14-18-6-3-5-17-4-1-2-7-21(17)18/h1-13,15H,14,16H2,(H,29,33).

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

1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 492.37 g/mol, XLogP of 5.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,4-dichlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19270210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).