5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide

C32H32N6O2 — CID 52949261

About 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide

5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 52949261) has the molecular formula C32H32N6O2 and a molecular weight of 532.65 g/mol. Its IUPAC name is 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide
• PubChem CID: 52949261
• Molecular Formula: C32H32N6O2
• Molecular Weight: 532.65 g/mol
• Exact Mass: 532.26
• IUPAC Name: 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide
• SMILES: Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)cc1C(=O)NCc1ccncc1
• InChI: InChI=1S/C32H32N6O2/c1-21-12-13-24(18-26(21)30(39)34-20-22-14-16-33-17-15-22)38-29(19-28(37-38)32(2,3)4)36-31(40)35-27-11-7-9-23-8-5-6-10-25(23)27/h5-19H,20H2,1-4H3,(H,34,39)(H2,35,36,40)
• InChIKey: QMCPRKVAVOWRLY-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 100.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.65
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide?

The IUPAC name of 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide (CID 52949261) is 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide.

What is the SMILES notation for 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide?

The canonical SMILES for 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3ccccc23)cc1C(=O)NCc1ccncc1.

What is the InChIKey of 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide?

The InChIKey is QMCPRKVAVOWRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2/c1-21-12-13-24(18-26(21)30(39)34-20-22-14-16-33-17-15-22)38-29(19-28(37-38)32(2,3)4)36-31(40)35-27-11-7-9-23-8-5-6-10-25(23)27/h5-19H,20H2,1-4H3,(H,34,39)(H2,35,36,40).

What are the key properties of 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide?

5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 532.65 g/mol, XLogP of 6.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-tert-butyl-5-(naphthalen-1-ylcarbamoylamino)pyrazol-1-yl]-2-methyl-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 52949261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).