N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

C26H26FN3O2S — CID 19490760

About N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide

N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19490760) has the molecular formula C26H26FN3O2S and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
• PubChem CID: 19490760
• Molecular Formula: C26H26FN3O2S
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.17
• IUPAC Name: N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide
• SMILES: Cc1cc(C)c(C)c(OCc2csc(C(=O)Nc3cc(C)n(Cc4ccccc4F)n3)c2)c1
• InChI: InChI=1S/C26H26FN3O2S/c1-16-9-17(2)19(4)23(10-16)32-14-20-12-24(33-15-20)26(31)28-25-11-18(3)30(29-25)13-21-7-5-6-8-22(21)27/h5-12,15H,13-14H2,1-4H3,(H,28,29,31)
• InChIKey: QHSNWNYCQJPAIG-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?

The IUPAC name of N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide (CID 19490760) is N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide is Cc1cc(C)c(C)c(OCc2csc(C(=O)Nc3cc(C)n(Cc4ccccc4F)n3)c2)c1.

What is the InChIKey of N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?

The InChIKey is QHSNWNYCQJPAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2S/c1-16-9-17(2)19(4)23(10-16)32-14-20-12-24(33-15-20)26(31)28-25-11-18(3)30(29-25)13-21-7-5-6-8-22(21)27/h5-12,15H,13-14H2,1-4H3,(H,28,29,31).

What are the key properties of N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide?

N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 6.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(2,3,5-trimethylphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19490760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).