4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol

C₈₀H₈₆Cl₂F₂N₁₈O₄ — CID 158260858

About 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol

4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol (PubChem CID 158260858) has the molecular formula C₈₀H₈₆Cl₂F₂N₁₈O₄ and a molecular weight of 1472.59 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol
• PubChem CID: 158260858
• Molecular Formula: C₈₀H₈₆Cl₂F₂N₁₈O₄
• Molecular Weight: 1472.59 g/mol
• Exact Mass: 1470.64
• IUPAC Name: 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol
• SMILES: NCCN1CC(O)Cn2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)c21.NCCN1CC(O)Cn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21.OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)c1C1CCNCC1.OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C1CCNCC1
• InChI: InChI=1S/C21H23ClN4O.C21H23FN4O.C19H20ClN5O.C19H20FN5O/c2*22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(26(25-20)13-14-27)17-7-11-24-12-8-17;2*20-15-3-1-14(2-4-15)18-17(13-5-8-22-9-6-13)19-24(10-7-21)11-16(26)12-25(19)23-18/h2*1-6,9-10,17,24,27H,7-8,11-14H2;2*1-6,8-9,16,26H,7,10-12,21H2
• InChIKey: GHVWXAWKFVNIBE-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 286.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1472.59
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol?

The IUPAC name of 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol (CID 158260858) is 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol.

What is the SMILES notation for 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol?

The canonical SMILES for 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol is NCCN1CC(O)Cn2nc(-c3ccc(Cl)cc3)c(-c3ccncc3)c21.NCCN1CC(O)Cn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c21.OCCn1nc(-c2ccc(Cl)cc2)c(-c2ccncc2)c1C1CCNCC1.OCCn1nc(-c2ccc(F)cc2)c(-c2ccncc2)c1C1CCNCC1.

What is the InChIKey of 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol?

The InChIKey is GHVWXAWKFVNIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O.C21H23FN4O.C19H20ClN5O.C19H20FN5O/c2*22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(26(25-20)13-14-27)17-7-11-24-12-8-17;2*20-15-3-1-14(2-4-15)18-17(13-5-8-22-9-6-13)19-24(10-7-21)11-16(26)12-25(19)23-18/h2*1-6,9-10,17,24,27H,7-8,11-14H2;2*1-6,8-9,16,26H,7,10-12,21H2.

What are the key properties of 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol?

4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol has a molecular weight of 1472.59 g/mol, XLogP of 11.23, 18 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminoethyl)-2-(4-chlorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;4-(2-aminoethyl)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-6-ol;2-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol;2-[3-(4-fluorophenyl)-5-piperidin-4-yl-4-pyridin-4-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 158260858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158260858 — identifiers, structure, computed properties (public domain)

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