7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

C13H10BrN3 — CID 3536142

IUPAC7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(-c3ccc(Br)cc3)n2n1
InChIInChI=1S/C13H10BrN3/c1-9-8-13-15-7-6-12(17(13)16-9)10-2-4-11(14)5-3-10/h2-8H,1H3
InChIKeyULXPFLZNYKLPRJ-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.47
Rot. Bonds1

About 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine

7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 3536142) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID3536142
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nccc(-c3ccc(Br)cc3)n2n1
InChIInChI=1S/C13H10BrN3/c1-9-8-13-15-7-6-12(17(13)16-9)10-2-4-11(14)5-3-10/h2-8H,1H3
InChIKeyULXPFLZNYKLPRJ-UHFFFAOYSA-N
XLogP3.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CID 3536142) is 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nccc(-c3ccc(Br)cc3)n2n1.
What is the InChIKey of 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ULXPFLZNYKLPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-8-13-15-7-6-12(17(13)16-9)10-2-4-11(14)5-3-10/h2-8H,1H3.
What are the key properties of 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine?
7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 288.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3536142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).