5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

C17H16FN7 — CID 56904649

About 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56904649) has the molecular formula C17H16FN7 and a molecular weight of 337.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 56904649
• Molecular Formula: C17H16FN7
• Molecular Weight: 337.36 g/mol
• Exact Mass: 337.15
• IUPAC Name: 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: Cc1cn(CCNc2cc(-c3ccccc3F)nc3ccnn23)nn1
• InChI: InChI=1S/C17H16FN7/c1-12-11-24(23-22-12)9-8-19-17-10-15(13-4-2-3-5-14(13)18)21-16-6-7-20-25(16)17/h2-7,10-11,19H,8-9H2,1H3
• InChIKey: RGRFADMFPFUXFC-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 72.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.36
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56904649) is 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cn(CCNc2cc(-c3ccccc3F)nc3ccnn23)nn1.

What is the InChIKey of 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is RGRFADMFPFUXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7/c1-12-11-24(23-22-12)9-8-19-17-10-15(13-4-2-3-5-14(13)18)21-16-6-7-20-25(16)17/h2-7,10-11,19H,8-9H2,1H3.

What are the key properties of 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine?

5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 337.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluorophenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56904649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).