N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine

C22H25FN6 — CID 155135712

About N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine

N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 155135712) has the molecular formula C22H25FN6 and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

• Compound Name: N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
• PubChem CID: 155135712
• Molecular Formula: C22H25FN6
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.21
• IUPAC Name: N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
• SMILES: CCCCCc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cn[nH]c3)c2n1
• InChI: InChI=1S/C22H25FN6/c1-3-4-5-6-16-7-8-18(23)11-19(16)15(2)27-21-9-10-29-22(28-21)20(14-26-29)17-12-24-25-13-17/h7-15H,3-6H2,1-2H3,(H,24,25)(H,27,28)
• InChIKey: UPKKDEBCQGQGHF-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 70.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The IUPAC name of N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 155135712) is N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine.

What is the SMILES notation for N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The canonical SMILES for N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is CCCCCc1ccc(F)cc1C(C)Nc1ccn2ncc(-c3cn[nH]c3)c2n1.

What is the InChIKey of N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

The InChIKey is UPKKDEBCQGQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6/c1-3-4-5-6-16-7-8-18(23)11-19(16)15(2)27-21-9-10-29-22(28-21)20(14-26-29)17-12-24-25-13-17/h7-15H,3-6H2,1-2H3,(H,24,25)(H,27,28).

What are the key properties of N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine?

N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 392.48 g/mol, XLogP of 5.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-fluoro-2-pentylphenyl)ethyl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 155135712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).