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

C15H10N4O — CID 90454622

IUPAC6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=Cc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C15H10N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h2-7,9,17H,1H2
InChIKeyAGGOWTKHVOGOST-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.20
Rot. Bonds2

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

6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454622) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454622
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESC=Cc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C15H10N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h2-7,9,17H,1H2
InChIKeyAGGOWTKHVOGOST-UHFFFAOYSA-N
XLogP2.20
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Isopropyl-7-oxo-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426698
6-Ethyl-7-oxo-5-o-tolyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90442348
6-Ethyl-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 684434
Pyrazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-phenyl-
CID 2818813
5-methyl-2-phenyl-4H,7H-pyrazolo(1,5-a)pyrimidin-7-one
CID 737203
5-Chloro-7-Hydroxy-6-(Phenylmethyl)pyrazolo[1,5-A]pyrimidine-3-Carbonitrile
CID 53338872
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
2-(4-Iodo-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 632552
2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 666499
6-Benzyl-2,5-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 754782
2-phenyl-6,7-dihydro-4H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8(5H)-one
CID 804700

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454622) is 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is C=Cc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is AGGOWTKHVOGOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c1-2-12-13(10-6-4-3-5-7-10)18-14-11(8-16)9-17-19(14)15(12)20/h2-7,9,17H,1H2.
What are the key properties of 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).