5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C22H19F3N6O2 — CID 55766930

About 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 55766930) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 55766930
• Molecular Formula: C22H19F3N6O2
• Molecular Weight: 456.43 g/mol
• Exact Mass: 456.15
• IUPAC Name: 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: Cc1c(C(=O)Nc2cccc(OCCn3cccn3)c2)cnn1-c1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C22H19F3N6O2/c1-15-19(14-28-31(15)20-7-6-16(13-26-20)22(23,24)25)21(32)29-17-4-2-5-18(12-17)33-11-10-30-9-3-8-27-30/h2-9,12-14H,10-11H2,1H3,(H,29,32)
• InChIKey: QUBVITUMHZQODS-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.43
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 55766930) is 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(OCCn3cccn3)c2)cnn1-c1ccc(C(F)(F)F)cn1.

What is the InChIKey of 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is QUBVITUMHZQODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-15-19(14-28-31(15)20-7-6-16(13-26-20)22(23,24)25)21(32)29-17-4-2-5-18(12-17)33-11-10-30-9-3-8-27-30/h2-9,12-14H,10-11H2,1H3,(H,29,32).

What are the key properties of 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 456.43 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55766930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).