5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine

C12H16N4O — CID 113296851

IUPAC5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine
SMILESc1cc2nc(OCC3CCNCC3)ccn2n1
InChIInChI=1S/C12H16N4O/c1-5-13-6-2-10(1)9-17-12-4-8-16-11(15-12)3-7-14-16/h3-4,7-8,10,13H,1-2,5-6,9H2
InChIKeyTVNFMCSFEFKYBR-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.11
Rot. Bonds3

About 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine

5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine (PubChem CID 113296851) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine
PubChem CID113296851
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine
SMILESc1cc2nc(OCC3CCNCC3)ccn2n1
InChIInChI=1S/C12H16N4O/c1-5-13-6-2-10(1)9-17-12-4-8-16-11(15-12)3-7-14-16/h3-4,7-8,10,13H,1-2,5-6,9H2
InChIKeyTVNFMCSFEFKYBR-UHFFFAOYSA-N
XLogP1.11
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine (CID 113296851) is 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine is c1cc2nc(OCC3CCNCC3)ccn2n1.
What is the InChIKey of 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
The InChIKey is TVNFMCSFEFKYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-5-13-6-2-10(1)9-17-12-4-8-16-11(15-12)3-7-14-16/h3-4,7-8,10,13H,1-2,5-6,9H2.
What are the key properties of 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine?
5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine has a molecular weight of 232.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethoxy)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 113296851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).