6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H10N4O2 — CID 90454570

IUPAC6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2ccco2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C13H10N4O2/c1-2-9-11(10-4-3-5-19-10)16-12-8(6-14)7-15-17(12)13(9)18/h3-5,7,15H,2H2,1H3
InChIKeyOUWJJOAHHIKDBL-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.72
Rot. Bonds2

About 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454570) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454570
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2ccco2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C13H10N4O2/c1-2-9-11(10-4-3-5-19-10)16-12-8(6-14)7-15-17(12)13(9)18/h3-5,7,15H,2H2,1H3
InChIKeyOUWJJOAHHIKDBL-UHFFFAOYSA-N
XLogP1.72
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454570) is 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(-c2ccco2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is OUWJJOAHHIKDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-2-9-11(10-4-3-5-19-10)16-12-8(6-14)7-15-17(12)13(9)18/h3-5,7,15H,2H2,1H3.
What are the key properties of 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).