1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

C25H26FN5O2 — CID 19273812

About 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide

1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19273812) has the molecular formula C25H26FN5O2 and a molecular weight of 447.51 g/mol. Its IUPAC name is 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• PubChem CID: 19273812
• Molecular Formula: C25H26FN5O2
• Molecular Weight: 447.51 g/mol
• Exact Mass: 447.21
• IUPAC Name: 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
• SMILES: CC(C)(C)c1ccc(OCn2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)n2)cc1
• InChI: InChI=1S/C25H26FN5O2/c1-25(2,3)19-7-9-22(10-8-19)33-17-30-12-11-23(29-30)24(32)28-21-14-27-31(16-21)15-18-5-4-6-20(26)13-18/h4-14,16H,15,17H2,1-3H3,(H,28,32)
• InChIKey: NXOHALMYDALZSX-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.51
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19273812) is 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is CC(C)(C)c1ccc(OCn2ccc(C(=O)Nc3cnn(Cc4cccc(F)c4)c3)n2)cc1.

What is the InChIKey of 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

The InChIKey is NXOHALMYDALZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O2/c1-25(2,3)19-7-9-22(10-8-19)33-17-30-12-11-23(29-30)24(32)28-21-14-27-31(16-21)15-18-5-4-6-20(26)13-18/h4-14,16H,15,17H2,1-3H3,(H,28,32).

What are the key properties of 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide?

1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 447.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-tert-butylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).