7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H7BrN4O — CID 139234230

IUPAC7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(-c3cc4cc(Br)ccc4o3)ccnc12
InChIInChI=1S/C15H7BrN4O/c16-11-1-2-13-9(5-11)6-14(21-13)12-3-4-18-15-10(7-17)8-19-20(12)15/h1-6,8H
InChIKeyUEEZIPZDFQAKSN-UHFFFAOYSA-N
MW339.15 g/mol
LogP3.78
Rot. Bonds1

About 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 139234230) has the molecular formula C15H7BrN4O and a molecular weight of 339.15 g/mol. Its IUPAC name is 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID139234230
Molecular FormulaC15H7BrN4O
Molecular Weight339.15 g/mol
Exact Mass337.98
IUPAC Name7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(-c3cc4cc(Br)ccc4o3)ccnc12
InChIInChI=1S/C15H7BrN4O/c16-11-1-2-13-9(5-11)6-14(21-13)12-3-4-18-15-10(7-17)8-19-20(12)15/h1-6,8H
InChIKeyUEEZIPZDFQAKSN-UHFFFAOYSA-N
XLogP3.78
TPSA67.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 6462785
7-(2-hydroxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 135635616
4-(5-bromo-1-benzofuran-2-yl)-N-methylpyrimidin-2-amine
CID 55222406
7-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 84660602
7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 4774562
6-(5-bromo-1-benzofuran-2-yl)pyridin-3-amine
CID 115110800
7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;hydrochloride
CID 175863783
N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
CID 24805140
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]pent-4-yne-1-sulfonamide
CID 123544305
7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 143687755
3-(4-bromophenyl)-7-naphthalen-2-ylpyrazolo[1,5-a]pyrimidine
CID 66498426
N-tert-butyl-N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-oxobutanamide
CID 87173811

Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 139234230) is 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(-c3cc4cc(Br)ccc4o3)ccnc12.
What is the InChIKey of 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is UEEZIPZDFQAKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrN4O/c16-11-1-2-13-9(5-11)6-14(21-13)12-3-4-18-15-10(7-17)8-19-20(12)15/h1-6,8H.
What are the key properties of 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 339.15 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-1-benzofuran-2-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 139234230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).