[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol

C27H29FN4O — CID 77156537

About [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol

[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 77156537) has the molecular formula C27H29FN4O and a molecular weight of 444.55 g/mol. Its IUPAC name is [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

• Compound Name: [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
• PubChem CID: 77156537
• Molecular Formula: C27H29FN4O
• Molecular Weight: 444.55 g/mol
• Exact Mass: 444.23
• IUPAC Name: [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
• SMILES: CCCc1nn2c(-c3ccc(F)cc3)cc(N3CCCC3CO)nc2c1-c1ccc(C)cc1
• InChI: InChI=1S/C27H29FN4O/c1-3-5-23-26(20-9-7-18(2)8-10-20)27-29-25(31-15-4-6-22(31)17-33)16-24(32(27)30-23)19-11-13-21(28)14-12-19/h7-14,16,22,33H,3-6,15,17H2,1-2H3
• InChIKey: ALFRIVCTNQUNAJ-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.55
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?

The IUPAC name of [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (CID 77156537) is [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.

What is the SMILES notation for [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?

The canonical SMILES for [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is CCCc1nn2c(-c3ccc(F)cc3)cc(N3CCCC3CO)nc2c1-c1ccc(C)cc1.

What is the InChIKey of [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?

The InChIKey is ALFRIVCTNQUNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O/c1-3-5-23-26(20-9-7-18(2)8-10-20)27-29-25(31-15-4-6-22(31)17-33)16-24(32(27)30-23)19-11-13-21(28)14-12-19/h7-14,16,22,33H,3-6,15,17H2,1-2H3.

What are the key properties of [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?

[1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 444.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[7-(4-fluorophenyl)-3-(4-methylphenyl)-2-propylpyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 77156537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).