7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C13H15N5O — CID 137018334

IUPAC7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC1CC(c2cc(=O)[nH]c3c(C#N)cnn23)CCN1
InChIInChI=1S/C13H15N5O/c1-8-4-9(2-3-15-8)11-5-12(19)17-13-10(6-14)7-16-18(11)13/h5,7-9,15H,2-4H2,1H3,(H,17,19)
InChIKeyRVXFYHDUCASLKN-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.75
Rot. Bonds1

About 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 137018334) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID137018334
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC1CC(c2cc(=O)[nH]c3c(C#N)cnn23)CCN1
InChIInChI=1S/C13H15N5O/c1-8-4-9(2-3-15-8)11-5-12(19)17-13-10(6-14)7-16-18(11)13/h5,7-9,15H,2-4H2,1H3,(H,17,19)
InChIKeyRVXFYHDUCASLKN-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 137018334) is 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC1CC(c2cc(=O)[nH]c3c(C#N)cnn23)CCN1.
What is the InChIKey of 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is RVXFYHDUCASLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8-4-9(2-3-15-8)11-5-12(19)17-13-10(6-14)7-16-18(11)13/h5,7-9,15H,2-4H2,1H3,(H,17,19).
What are the key properties of 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 257.30 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpiperidin-4-yl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 137018334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).