N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide

C26H26FN3O3 — CID 51069199

About N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide

N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide (PubChem CID 51069199) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
• PubChem CID: 51069199
• Molecular Formula: C26H26FN3O3
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.20
• IUPAC Name: N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
• SMILES: CC(C)C(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1
• InChI: InChI=1S/C26H26FN3O3/c1-18(2)25(31)30(16-22-10-7-15-32-22)17-23-24(19-8-5-4-6-9-19)28-29(3)26(23)33-21-13-11-20(27)12-14-21/h4-15,18H,16-17H2,1-3H3
• InChIKey: CKJJCBXEZXOOCX-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 60.50 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide?

The IUPAC name of N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide (CID 51069199) is N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide.

What is the SMILES notation for N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide?

The canonical SMILES for N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide is CC(C)C(=O)N(Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1.

What is the InChIKey of N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide?

The InChIKey is CKJJCBXEZXOOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-18(2)25(31)30(16-22-10-7-15-32-22)17-23-24(19-8-5-4-6-9-19)28-29(3)26(23)33-21-13-11-20(27)12-14-21/h4-15,18H,16-17H2,1-3H3.

What are the key properties of N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide?

N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide has a molecular weight of 447.51 g/mol, XLogP of 5.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-fluorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide is sourced from PubChem (CID 51069199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).