piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C15H20N4O — CID 53040897

IUPACpiperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCCC2)nc2ccnn12
InChIInChI=1S/C15H20N4O/c1-11(2)13-10-12(17-14-6-7-16-19(13)14)15(20)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyBYWLOPRBQCFJOC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds2

About piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 53040897) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID53040897
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Namepiperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCCCC2)nc2ccnn12
InChIInChI=1S/C15H20N4O/c1-11(2)13-10-12(17-14-6-7-16-19(13)14)15(20)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyBYWLOPRBQCFJOC-UHFFFAOYSA-N
XLogP2.48
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 53040897) is piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is CC(C)c1cc(C(=O)N2CCCCC2)nc2ccnn12.
What is the InChIKey of piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is BYWLOPRBQCFJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(2)13-10-12(17-14-6-7-16-19(13)14)15(20)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 53040897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).