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

C13H15N5O — CID 71698619

IUPAC5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(=O)n2[nH]c(N3CCCCC3)c(C#N)c2n1
InChIInChI=1S/C13H15N5O/c1-9-7-11(19)18-12(15-9)10(8-14)13(16-18)17-5-3-2-4-6-17/h7,16H,2-6H2,1H3
InChIKeyRSHFOBHZDBFAJX-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.19
Rot. Bonds1

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

5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 71698619) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID71698619
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(=O)n2[nH]c(N3CCCCC3)c(C#N)c2n1
InChIInChI=1S/C13H15N5O/c1-9-7-11(19)18-12(15-9)10(8-14)13(16-18)17-5-3-2-4-6-17/h7,16H,2-6H2,1H3
InChIKeyRSHFOBHZDBFAJX-UHFFFAOYSA-N
XLogP1.19
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 71698619) is 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(=O)n2[nH]c(N3CCCCC3)c(C#N)c2n1.
What is the InChIKey of 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RSHFOBHZDBFAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-7-11(19)18-12(15-9)10(8-14)13(16-18)17-5-3-2-4-6-17/h7,16H,2-6H2,1H3.
What are the key properties of 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-oxo-2-piperidin-1-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 71698619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).