N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide

C26H25F3N4O — CID 66964995

About N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide

N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide (PubChem CID 66964995) has the molecular formula C26H25F3N4O and a molecular weight of 466.51 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide.

Molecular Properties

• Compound Name: N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
• PubChem CID: 66964995
• Molecular Formula: C26H25F3N4O
• Molecular Weight: 466.51 g/mol
• Exact Mass: 466.20
• IUPAC Name: N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
• SMILES: CC(C)N(C)C(=O)C(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12
• InChI: InChI=1S/C26H25F3N4O/c1-17(2)32(3)25(34)21(15-18-7-5-4-6-8-18)23-13-14-30-24-22(16-31-33(23)24)19-9-11-20(12-10-19)26(27,28)29/h4-14,16-17,21H,15H2,1-3H3
• InChIKey: GJEWOBJENQLEHW-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 50.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.51
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide?

The IUPAC name of N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide (CID 66964995) is N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide.

What is the SMILES notation for N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide?

The canonical SMILES for N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide is CC(C)N(C)C(=O)C(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)cnn12.

What is the InChIKey of N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide?

The InChIKey is GJEWOBJENQLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O/c1-17(2)32(3)25(34)21(15-18-7-5-4-6-8-18)23-13-14-30-24-22(16-31-33(23)24)19-9-11-20(12-10-19)26(27,28)29/h4-14,16-17,21H,15H2,1-3H3.

What are the key properties of N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide?

N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide has a molecular weight of 466.51 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-3-phenyl-N-propan-2-yl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide is sourced from PubChem (CID 66964995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).