2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one

C34H33Br2Cl2N9O2 — CID 157080667

About 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one

2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 157080667) has the molecular formula C34H33Br2Cl2N9O2 and a molecular weight of 830.41 g/mol. Its IUPAC name is 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
• PubChem CID: 157080667
• Molecular Formula: C34H33Br2Cl2N9O2
• Molecular Weight: 830.41 g/mol
• Exact Mass: 827.05
• IUPAC Name: 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
• SMILES: CC(CO)Nc1cc(-c2ccccc2Cl)nc2c(Br)cnn12.O=C1CCCN1CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12
• InChI: InChI=1S/C19H19BrClN5O.C15H14BrClN4O/c20-14-12-23-26-17(22-8-4-10-25-9-3-7-18(25)27)11-16(24-19(14)26)13-5-1-2-6-15(13)21;1-9(8-22)19-14-6-13(10-4-2-3-5-12(10)17)20-15-11(16)7-18-21(14)15/h1-2,5-6,11-12,22H,3-4,7-10H2;2-7,9,19,22H,8H2,1H3
• InChIKey: ADMUOIDJHDOSDL-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 124.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.41
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?

The IUPAC name of 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one (CID 157080667) is 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one.

What is the SMILES notation for 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?

The canonical SMILES for 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one is CC(CO)Nc1cc(-c2ccccc2Cl)nc2c(Br)cnn12.O=C1CCCN1CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12.

What is the InChIKey of 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?

The InChIKey is ADMUOIDJHDOSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN5O.C15H14BrClN4O/c20-14-12-23-26-17(22-8-4-10-25-9-3-7-18(25)27)11-16(24-19(14)26)13-5-1-2-6-15(13)21;1-9(8-22)19-14-6-13(10-4-2-3-5-12(10)17)20-15-11(16)7-18-21(14)15/h1-2,5-6,11-12,22H,3-4,7-10H2;2-7,9,19,22H,8H2,1H3.

What are the key properties of 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?

2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 830.41 g/mol, XLogP of 7.84, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol;1-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 157080667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).