1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C26H23F3N4O2 — CID 55692630

About 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55692630) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 55692630
• Molecular Formula: C26H23F3N4O2
• Molecular Weight: 480.49 g/mol
• Exact Mass: 480.18
• IUPAC Name: 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: Cc1ccc(-n2ncc(C(=O)NC(C)c3ccc(OCc4cccnc4)cc3)c2C(F)(F)F)cc1
• InChI: InChI=1S/C26H23F3N4O2/c1-17-5-9-21(10-6-17)33-24(26(27,28)29)23(15-31-33)25(34)32-18(2)20-7-11-22(12-8-20)35-16-19-4-3-13-30-14-19/h3-15,18H,16H2,1-2H3,(H,32,34)
• InChIKey: HQDZTCJLOLFGQH-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.49
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55692630) is 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NC(C)c3ccc(OCc4cccnc4)cc3)c2C(F)(F)F)cc1.

What is the InChIKey of 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is HQDZTCJLOLFGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-17-5-9-21(10-6-17)33-24(26(27,28)29)23(15-31-33)25(34)32-18(2)20-7-11-22(12-8-20)35-16-19-4-3-13-30-14-19/h3-15,18H,16H2,1-2H3,(H,32,34).

What are the key properties of 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?

1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 480.49 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55692630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).