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

C25H20ClN5O2 — CID 19507401

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

2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19507401) has the molecular formula C25H20ClN5O2 and a molecular weight of 457.92 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19507401
• Molecular Formula: C25H20ClN5O2
• Molecular Weight: 457.92 g/mol
• Exact Mass: 457.13
• IUPAC Name: 2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccnn1COc1ccc(Cl)cc1
• InChI: InChI=1S/C25H20ClN5O2/c26-20-8-10-22(11-9-20)33-17-31-24(12-13-27-31)25(32)29-21-14-28-30(16-21)15-19-6-3-5-18-4-1-2-7-23(18)19/h1-14,16H,15,17H2,(H,29,32)
• InChIKey: CCWBSRXOLSSWLF-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.92
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide (CID 19507401) is 2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccnn1COc1ccc(Cl)cc1.

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

The InChIKey is CCWBSRXOLSSWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2/c26-20-8-10-22(11-9-20)33-17-31-24(12-13-27-31)25(32)29-21-14-28-30(16-21)15-19-6-3-5-18-4-1-2-7-23(18)19/h1-14,16H,15,17H2,(H,29,32).

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

2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 457.92 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).