3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine

C21H19N7 — CID 95125081

About 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine

3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 95125081) has the molecular formula C21H19N7 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
• PubChem CID: 95125081
• Molecular Formula: C21H19N7
• Molecular Weight: 369.43 g/mol
• Exact Mass: 369.17
• IUPAC Name: 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
• SMILES: C[C@@H](Cn1cccn1)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12
• InChI: InChI=1S/C21H19N7/c1-16(14-26-11-6-10-24-26)27-15-23-19(17-7-3-2-4-8-17)20(27)18-13-25-28-12-5-9-22-21(18)28/h2-13,15-16H,14H2,1H3/t16-/m0/s1
• InChIKey: UQSUBFNUMIPQMD-INIZCTEOSA-N
• XLogP: 3.72
• TPSA: 65.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.43
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine?

The IUPAC name of 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine (CID 95125081) is 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine.

What is the SMILES notation for 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine?

The canonical SMILES for 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine is C[C@@H](Cn1cccn1)n1cnc(-c2ccccc2)c1-c1cnn2cccnc12.

What is the InChIKey of 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine?

The InChIKey is UQSUBFNUMIPQMD-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19N7/c1-16(14-26-11-6-10-24-26)27-15-23-19(17-7-3-2-4-8-17)20(27)18-13-25-28-12-5-9-22-21(18)28/h2-13,15-16H,14H2,1H3/t16-/m0/s1.

What are the key properties of 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine?

3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 369.43 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95125081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).