6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H16N4O — CID 90454591

IUPAC6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCCn1c(C)c(CC)c(=O)n2ncc(C#N)c12
InChIInChI=1S/C13H16N4O/c1-4-6-16-9(3)11(5-2)13(18)17-12(16)10(7-14)8-15-17/h8H,4-6H2,1-3H3
InChIKeyFFURKJWVMZZLBN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.65
Rot. Bonds3

About 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454591) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454591
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCCn1c(C)c(CC)c(=O)n2ncc(C#N)c12
InChIInChI=1S/C13H16N4O/c1-4-6-16-9(3)11(5-2)13(18)17-12(16)10(7-14)8-15-17/h8H,4-6H2,1-3H3
InChIKeyFFURKJWVMZZLBN-UHFFFAOYSA-N
XLogP1.65
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454591) is 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCCn1c(C)c(CC)c(=O)n2ncc(C#N)c12.
What is the InChIKey of 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is FFURKJWVMZZLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-4-6-16-9(3)11(5-2)13(18)17-12(16)10(7-14)8-15-17/h8H,4-6H2,1-3H3.
What are the key properties of 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 244.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).