4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile

C13H9N5O3 — CID 155815201

IUPAC4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1cc(=O)n(-c2nc(-c3ccco3)c(C#N)c(=O)[nH]2)[nH]1
InChIInChI=1S/C13H9N5O3/c1-7-5-10(19)18(17-7)13-15-11(9-3-2-4-21-9)8(6-14)12(20)16-13/h2-5,17H,1H3,(H,15,16,20)
InChIKeyNUKAHWCIDJFLBH-UHFFFAOYSA-N
MW283.25 g/mol
LogP0.69
Rot. Bonds2

About 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile

4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 155815201) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID155815201
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC Name4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCc1cc(=O)n(-c2nc(-c3ccco3)c(C#N)c(=O)[nH]2)[nH]1
InChIInChI=1S/C13H9N5O3/c1-7-5-10(19)18(17-7)13-15-11(9-3-2-4-21-9)8(6-14)12(20)16-13/h2-5,17H,1H3,(H,15,16,20)
InChIKeyNUKAHWCIDJFLBH-UHFFFAOYSA-N
XLogP0.69
TPSA120.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile (CID 155815201) is 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile is Cc1cc(=O)n(-c2nc(-c3ccco3)c(C#N)c(=O)[nH]2)[nH]1.
What is the InChIKey of 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is NUKAHWCIDJFLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3/c1-7-5-10(19)18(17-7)13-15-11(9-3-2-4-21-9)8(6-14)12(20)16-13/h2-5,17H,1H3,(H,15,16,20).
What are the key properties of 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile?
4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 283.25 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(5-methyl-3-oxo-1H-pyrazol-2-yl)-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 155815201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).