N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

C25H34N6O — CID 112845124

About N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 112845124) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 112845124
• Molecular Formula: C25H34N6O
• Molecular Weight: 434.59 g/mol
• Exact Mass: 434.28
• IUPAC Name: N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
• SMILES: Cn1ccnc1CN1CCC(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC1
• InChI: InChI=1S/C25H34N6O/c1-25(2,3)21-16-22(31(28-21)17-19-8-6-5-7-9-19)27-24(32)20-10-13-30(14-11-20)18-23-26-12-15-29(23)4/h5-9,12,15-16,20H,10-11,13-14,17-18H2,1-4H3,(H,27,32)
• InChIKey: VXAICQQCYADNCA-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 67.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.59
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 112845124) is N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is Cn1ccnc1CN1CCC(C(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC1.

What is the InChIKey of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?

The InChIKey is VXAICQQCYADNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-25(2,3)21-16-22(31(28-21)17-19-8-6-5-7-9-19)27-24(32)20-10-13-30(14-11-20)18-23-26-12-15-29(23)4/h5-9,12,15-16,20H,10-11,13-14,17-18H2,1-4H3,(H,27,32).

What are the key properties of N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?

N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 434.59 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzyl-3-tert-butylpyrazol-5-yl)-1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 112845124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).