N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

C24H26N6O2 — CID 19276004

About N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide

N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19276004) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
• PubChem CID: 19276004
• Molecular Formula: C24H26N6O2
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.21
• IUPAC Name: N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
• SMILES: Cc1cccc(Cn2cnc(NC(=O)c3ccn(COc4ccc(C(C)C)cc4)n3)n2)c1
• InChI: InChI=1S/C24H26N6O2/c1-17(2)20-7-9-21(10-8-20)32-16-29-12-11-22(27-29)23(31)26-24-25-15-30(28-24)14-19-6-4-5-18(3)13-19/h4-13,15,17H,14,16H2,1-3H3,(H,26,28,31)
• InChIKey: LTTYYFDXLZBXIJ-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 86.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?

The IUPAC name of N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide (CID 19276004) is N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3ccn(COc4ccc(C(C)C)cc4)n3)n2)c1.

What is the InChIKey of N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?

The InChIKey is LTTYYFDXLZBXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-17(2)20-7-9-21(10-8-20)32-16-29-12-11-22(27-29)23(31)26-24-25-15-30(28-24)14-19-6-4-5-18(3)13-19/h4-13,15,17H,14,16H2,1-3H3,(H,26,28,31).

What are the key properties of N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide?

N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19276004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).