3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C13H9BrClN3 — CID 1485560

IUPAC3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2cc(-c3cccc(Cl)c3)cnc2c1Br
InChIInChI=1S/C13H9BrClN3/c1-8-12(14)13-16-6-10(7-18(13)17-8)9-3-2-4-11(15)5-9/h2-7H,1H3
InChIKeyCFDQVGFNCRRBHF-UHFFFAOYSA-N
MW322.59 g/mol
LogP4.12
Rot. Bonds1

About 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 1485560) has the molecular formula C13H9BrClN3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID1485560
Molecular FormulaC13H9BrClN3
Molecular Weight322.59 g/mol
Exact Mass320.97
IUPAC Name3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2cc(-c3cccc(Cl)c3)cnc2c1Br
InChIInChI=1S/C13H9BrClN3/c1-8-12(14)13-16-6-10(7-18(13)17-8)9-3-2-4-11(15)5-9/h2-7H,1H3
InChIKeyCFDQVGFNCRRBHF-UHFFFAOYSA-N
XLogP4.12
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 1485560) is 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1nn2cc(-c3cccc(Cl)c3)cnc2c1Br.
What is the InChIKey of 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CFDQVGFNCRRBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClN3/c1-8-12(14)13-16-6-10(7-18(13)17-8)9-3-2-4-11(15)5-9/h2-7H,1H3.
What are the key properties of 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 322.59 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1485560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).