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

C16H14N4O — CID 129317929

IUPAC7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCCc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H14N4O/c1-2-6-13-14(11-7-4-3-5-8-11)19-15-12(9-17)10-18-20(15)16(13)21/h3-5,7-8,10,18H,2,6H2,1H3
InChIKeyGDYICSDRFQBRDX-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.51
Rot. Bonds3

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

7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 129317929) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID129317929
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCCc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H14N4O/c1-2-6-13-14(11-7-4-3-5-8-11)19-15-12(9-17)10-18-20(15)16(13)21/h3-5,7-8,10,18H,2,6H2,1H3
InChIKeyGDYICSDRFQBRDX-UHFFFAOYSA-N
XLogP2.51
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 129317929) is 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCCc1c(-c2ccccc2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is GDYICSDRFQBRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-6-13-14(11-7-4-3-5-8-11)19-15-12(9-17)10-18-20(15)16(13)21/h3-5,7-8,10,18H,2,6H2,1H3.
What are the key properties of 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 129317929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).