3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride

C26H29Cl3N6O2 — CID 162329103

About 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride

3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride (PubChem CID 162329103) has the molecular formula C26H29Cl3N6O2 and a molecular weight of 563.92 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride
• PubChem CID: 162329103
• Molecular Formula: C26H29Cl3N6O2
• Molecular Weight: 563.92 g/mol
• Exact Mass: 562.14
• IUPAC Name: 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride
• SMILES: Cl.Cl.O=C(Nc1ccccc1OCCCN1CCNCC1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1
• InChI: InChI=1S/C26H27ClN6O2.2ClH/c27-20-6-3-5-19(17-20)21-18-29-33-13-9-23(30-25(21)33)26(34)31-22-7-1-2-8-24(22)35-16-4-12-32-14-10-28-11-15-32;;/h1-3,5-9,13,17-18,28H,4,10-12,14-16H2,(H,31,34);2*1H
• InChIKey: JNZKRMACZXCIQG-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.92
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride?

The IUPAC name of 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride (CID 162329103) is 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride.

What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride?

The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccccc1OCCCN1CCNCC1)c1ccn2ncc(-c3cccc(Cl)c3)c2n1.

What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride?

The InChIKey is JNZKRMACZXCIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O2.2ClH/c27-20-6-3-5-19(17-20)21-18-29-33-13-9-23(30-25(21)33)26(34)31-22-7-1-2-8-24(22)35-16-4-12-32-14-10-28-11-15-32;;/h1-3,5-9,13,17-18,28H,4,10-12,14-16H2,(H,31,34);2*1H.

What are the key properties of 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride?

3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 563.92 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chlorophenyl)-N-[2-(3-piperazin-1-ylpropoxy)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 162329103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).