3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H22N4O — CID 115054544

IUPAC3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)c1c[nH]n2c(=O)cc(C3CCCCN3)nc12
InChIInChI=1S/C15H22N4O/c1-15(2,3)10-9-17-19-13(20)8-12(18-14(10)19)11-6-4-5-7-16-11/h8-9,11,16-17H,4-7H2,1-3H3
InChIKeyOAXJEQJJGXMAGA-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.13
Rot. Bonds1

About 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 115054544) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID115054544
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)(C)c1c[nH]n2c(=O)cc(C3CCCCN3)nc12
InChIInChI=1S/C15H22N4O/c1-15(2,3)10-9-17-19-13(20)8-12(18-14(10)19)11-6-4-5-7-16-11/h8-9,11,16-17H,4-7H2,1-3H3
InChIKeyOAXJEQJJGXMAGA-UHFFFAOYSA-N
XLogP2.13
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyclopentyl-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 113433939
5-cyclopentyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621505
2-cyclohexyl-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271147
5-cyclobutyl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308884
9-bromo-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115053147
9-hydroxy-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115038190
3-chloro-5-piperidin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054586
5-piperidin-3-yl-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054548
9-chloro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115046566
9-fluoro-2-pyrrolidin-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 115039373
1,3-dimethyl-7-piperidin-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110266723
4-tert-butyl-7-piperidin-2-ylisoquinoline
CID 117424916

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 115054544) is 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)(C)c1c[nH]n2c(=O)cc(C3CCCCN3)nc12.
What is the InChIKey of 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OAXJEQJJGXMAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)10-9-17-19-13(20)8-12(18-14(10)19)11-6-4-5-7-16-11/h8-9,11,16-17H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 274.37 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-piperidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115054544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).