6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H12N4O — CID 78426282

IUPAC6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C15H12N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h3-7,9,17H,2H2,1H3
InChIKeyQALQBPAOHSQCTH-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.12
Rot. Bonds2

About 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78426282) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78426282
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C15H12N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h3-7,9,17H,2H2,1H3
InChIKeyQALQBPAOHSQCTH-UHFFFAOYSA-N
XLogP2.12
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78426282) is 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is QALQBPAOHSQCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h3-7,9,17H,2H2,1H3.
What are the key properties of 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 264.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78426282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).