2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H15N5O — CID 137018480

IUPAC2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C#N
InChIInChI=1S/C13H15N5O/c1-8-10(7-14)13-16-12(19)6-11(18(13)17-8)9-2-4-15-5-3-9/h6,9,15H,2-5H2,1H3,(H,16,19)
InChIKeyWBQCYWSMIDNAMC-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.67
Rot. Bonds1

About 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 137018480) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID137018480
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C#N
InChIInChI=1S/C13H15N5O/c1-8-10(7-14)13-16-12(19)6-11(18(13)17-8)9-2-4-15-5-3-9/h6,9,15H,2-5H2,1H3,(H,16,19)
InChIKeyWBQCYWSMIDNAMC-UHFFFAOYSA-N
XLogP0.67
TPSA85.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 137018480) is 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nn2c(C3CCNCC3)cc(=O)[nH]c2c1C#N.
What is the InChIKey of 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is WBQCYWSMIDNAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-10(7-14)13-16-12(19)6-11(18(13)17-8)9-2-4-15-5-3-9/h6,9,15H,2-5H2,1H3,(H,16,19).
What are the key properties of 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 137018480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).