2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C26H32N4O — CID 8915959

About 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 8915959) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
• PubChem CID: 8915959
• Molecular Formula: C26H32N4O
• Molecular Weight: 416.57 g/mol
• Exact Mass: 416.26
• IUPAC Name: 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
• SMILES: Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccc(C(C)C)cc1)C1CC1
• InChI: InChI=1S/C26H32N4O/c1-18(2)22-12-10-21(11-13-22)16-29(23-14-15-23)17-25(31)27-26-19(3)28-30(20(26)4)24-8-6-5-7-9-24/h5-13,18,23H,14-17H2,1-4H3,(H,27,31)
• InChIKey: OFMXKZQHJOLOBK-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.57
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?

The IUPAC name of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 8915959) is 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

What is the SMILES notation for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?

The canonical SMILES for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccc(C(C)C)cc1)C1CC1.

What is the InChIKey of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?

The InChIKey is OFMXKZQHJOLOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-18(2)22-12-10-21(11-13-22)16-29(23-14-15-23)17-25(31)27-26-19(3)28-30(20(26)4)24-8-6-5-7-9-24/h5-13,18,23H,14-17H2,1-4H3,(H,27,31).

What are the key properties of 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?

2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 416.57 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 8915959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).