3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine

C13H10BrN3 — CID 1489139

IUPAC3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccccc3)ccnc2c1Br
InChIInChI=1S/C13H10BrN3/c1-9-12(14)13-15-8-7-11(17(13)16-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyBJJYWSQWRAUOLJ-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.47
Rot. Bonds1

About 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine

3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 1489139) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID1489139
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(-c3ccccc3)ccnc2c1Br
InChIInChI=1S/C13H10BrN3/c1-9-12(14)13-15-8-7-11(17(13)16-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyBJJYWSQWRAUOLJ-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 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine (CID 1489139) is 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine is Cc1nn2c(-c3ccccc3)ccnc2c1Br.
What is the InChIKey of 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is BJJYWSQWRAUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-12(14)13-15-8-7-11(17(13)16-9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine?
3-bromo-2-methyl-7-phenylpyrazolo[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 3-bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1489139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).