3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C13H11BrN4 — CID 675416

IUPAC3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2ncc(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C13H11BrN4/c1-8-5-12(15)18-13(17-8)11(7-16-18)9-3-2-4-10(14)6-9/h2-7H,15H2,1H3
InChIKeyZICNUCDPXGCYHT-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.05
Rot. Bonds1

About 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 675416) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID675416
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2ncc(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C13H11BrN4/c1-8-5-12(15)18-13(17-8)11(7-16-18)9-3-2-4-10(14)6-9/h2-7H,15H2,1H3
InChIKeyZICNUCDPXGCYHT-UHFFFAOYSA-N
XLogP3.05
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 675416) is 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N)n2ncc(-c3cccc(Br)c3)c2n1.
What is the InChIKey of 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZICNUCDPXGCYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-8-5-12(15)18-13(17-8)11(7-16-18)9-3-2-4-10(14)6-9/h2-7H,15H2,1H3.
What are the key properties of 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 303.16 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 675416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).