1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine

C18H19BrClN5 — CID 143441576

About 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine

1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine (PubChem CID 143441576) has the molecular formula C18H19BrClN5 and a molecular weight of 420.74 g/mol. Its IUPAC name is 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine.

Molecular Properties

• Compound Name: 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine
• PubChem CID: 143441576
• Molecular Formula: C18H19BrClN5
• Molecular Weight: 420.74 g/mol
• Exact Mass: 419.05
• IUPAC Name: 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine
• SMILES: NN(c1cc(-c2ccccc2Cl)nc2c(Br)cnn12)C1CCCCC1
• InChI: InChI=1S/C18H19BrClN5/c19-14-11-22-25-17(24(21)12-6-2-1-3-7-12)10-16(23-18(14)25)13-8-4-5-9-15(13)20/h4-5,8-12H,1-3,6-7,21H2
• InChIKey: DDUUAPPRQMSXQH-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 59.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.74
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine?

The IUPAC name of 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine (CID 143441576) is 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine.

What is the SMILES notation for 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine?

The canonical SMILES for 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine is NN(c1cc(-c2ccccc2Cl)nc2c(Br)cnn12)C1CCCCC1.

What is the InChIKey of 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine?

The InChIKey is DDUUAPPRQMSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN5/c19-14-11-22-25-17(24(21)12-6-2-1-3-7-12)10-16(23-18(14)25)13-8-4-5-9-15(13)20/h4-5,8-12H,1-3,6-7,21H2.

What are the key properties of 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine?

1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine has a molecular weight of 420.74 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine is sourced from PubChem (CID 143441576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).