3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane

C13H14BrN3O — CID 143090704

IUPAC3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1cc(-c2ccoc2)nc2c(Br)cnn12
InChIInChI=1S/C11H8BrN3O.C2H6/c1-7-4-10(8-2-3-16-6-8)14-11-9(12)5-13-15(7)11;1-2/h2-6H,1H3;1-2H3
InChIKeyPCRIVXJXUZKRSX-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.09
Rot. Bonds1

About 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane

3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane (PubChem CID 143090704) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane
PubChem CID143090704
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.Cc1cc(-c2ccoc2)nc2c(Br)cnn12
InChIInChI=1S/C11H8BrN3O.C2H6/c1-7-4-10(8-2-3-16-6-8)14-11-9(12)5-13-15(7)11;1-2/h2-6H,1H3;1-2H3
InChIKeyPCRIVXJXUZKRSX-UHFFFAOYSA-N
XLogP4.09
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane (CID 143090704) is 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane is CC.Cc1cc(-c2ccoc2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane?
The InChIKey is PCRIVXJXUZKRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O.C2H6/c1-7-4-10(8-2-3-16-6-8)14-11-9(12)5-13-15(7)11;1-2/h2-6H,1H3;1-2H3.
What are the key properties of 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane?
3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane has a molecular weight of 308.18 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(furan-3-yl)-7-methylpyrazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 143090704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).