1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide

C25H31N3O2 — CID 55609248

About 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide

1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 55609248) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
• PubChem CID: 55609248
• Molecular Formula: C25H31N3O2
• Molecular Weight: 405.54 g/mol
• Exact Mass: 405.24
• IUPAC Name: 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide
• SMILES: Cc1ccc(-n2ncc(C(=O)NCc3ccccc3COC(C)C)c2C(C)C)cc1
• InChI: InChI=1S/C25H31N3O2/c1-17(2)24-23(15-27-28(24)22-12-10-19(5)11-13-22)25(29)26-14-20-8-6-7-9-21(20)16-30-18(3)4/h6-13,15,17-18H,14,16H2,1-5H3,(H,26,29)
• InChIKey: RQTYLZBJCGMMLC-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.54
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide?

The IUPAC name of 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 55609248) is 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide.

What is the SMILES notation for 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide?

The canonical SMILES for 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NCc3ccccc3COC(C)C)c2C(C)C)cc1.

What is the InChIKey of 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide?

The InChIKey is RQTYLZBJCGMMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-17(2)24-23(15-27-28(24)22-12-10-19(5)11-13-22)25(29)26-14-20-8-6-7-9-21(20)16-30-18(3)4/h6-13,15,17-18H,14,16H2,1-5H3,(H,26,29).

What are the key properties of 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide?

1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylphenyl)-5-propan-2-yl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55609248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).