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

C14H12N4O2 — CID 90454792

IUPAC5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2ccco2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C14H12N4O2/c1-8(2)11-12(10-4-3-5-20-10)17-13-9(6-15)7-16-18(13)14(11)19/h3-5,7-8,16H,1-2H3
InChIKeyAIYLVVBWMWCEER-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.28
Rot. Bonds2

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

5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454792) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454792
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2ccco2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C14H12N4O2/c1-8(2)11-12(10-4-3-5-20-10)17-13-9(6-15)7-16-18(13)14(11)19/h3-5,7-8,16H,1-2H3
InChIKeyAIYLVVBWMWCEER-UHFFFAOYSA-N
XLogP2.28
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454792) is 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2ccco2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is AIYLVVBWMWCEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-8(2)11-12(10-4-3-5-20-10)17-13-9(6-15)7-16-18(13)14(11)19/h3-5,7-8,16H,1-2H3.
What are the key properties of 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 268.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).