1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide

C24H33N5O — CID 55859731

About 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide

1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide (PubChem CID 55859731) has the molecular formula C24H33N5O and a molecular weight of 407.56 g/mol. Its IUPAC name is 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
• PubChem CID: 55859731
• Molecular Formula: C24H33N5O
• Molecular Weight: 407.56 g/mol
• Exact Mass: 407.27
• IUPAC Name: 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
• SMILES: CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1
• InChI: InChI=1S/C24H33N5O/c1-16(2)21-14-20(27-29(21)24(5,6)7)23(30)26-19-10-8-9-18(13-19)15-28-12-11-25-22(28)17(3)4/h8-14,16-17H,15H2,1-7H3,(H,26,30)
• InChIKey: FUOBOBAYWNJHEJ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.56
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide?

The IUPAC name of 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide (CID 55859731) is 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide?

The canonical SMILES for 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cccc(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c1.

What is the InChIKey of 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide?

The InChIKey is FUOBOBAYWNJHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O/c1-16(2)21-14-20(27-29(21)24(5,6)7)23(30)26-19-10-8-9-18(13-19)15-28-12-11-25-22(28)17(3)4/h8-14,16-17H,15H2,1-7H3,(H,26,30).

What are the key properties of 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide?

1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide has a molecular weight of 407.56 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55859731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).