1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene

C25H25BrClF2N5O2S — CID 143441575

About 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene

1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene (PubChem CID 143441575) has the molecular formula C25H25BrClF2N5O2S and a molecular weight of 612.93 g/mol. Its IUPAC name is 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene.

Molecular Properties

• Compound Name: 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene
• PubChem CID: 143441575
• Molecular Formula: C25H25BrClF2N5O2S
• Molecular Weight: 612.93 g/mol
• Exact Mass: 611.06
• IUPAC Name: 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene
• SMILES: CS(=O)(=O)c1ccc(F)c(F)c1.NN(c1cc(-c2ccccc2Cl)nc2c(Br)cnn12)C1CCCCC1
• InChI: InChI=1S/C18H19BrClN5.C7H6F2O2S/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;1-12(10,11)5-2-3-6(8)7(9)4-5/h4-5,8-12H,1-3,6-7,21H2;2-4H,1H3
• InChIKey: SKYZGWKGERYZAU-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 93.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.93
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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;1,2-difluoro-4-methylsulfonylbenzene?

The IUPAC name of 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene (CID 143441575) is 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene.

What is the SMILES notation for 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene?

The canonical SMILES for 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene is CS(=O)(=O)c1ccc(F)c(F)c1.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;1,2-difluoro-4-methylsulfonylbenzene?

The InChIKey is SKYZGWKGERYZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN5.C7H6F2O2S/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;1-12(10,11)5-2-3-6(8)7(9)4-5/h4-5,8-12H,1-3,6-7,21H2;2-4H,1H3.

What are the key properties of 1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene?

1-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1-cyclohexylhydrazine;1,2-difluoro-4-methylsulfonylbenzene has a molecular weight of 612.93 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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;1,2-difluoro-4-methylsulfonylbenzene is sourced from PubChem (CID 143441575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).