2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one

C16H24N4O — CID 82271388

IUPAC2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(C2CCCN2)cc(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N4O/c1-5-19-12(11-7-6-8-17-11)9-15(21)20-14(19)10-13(18-20)16(2,3)4/h9-11,17H,5-8H2,1-4H3
InChIKeyGLNGCWPATBDJIO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.24
Rot. Bonds2

About 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one

2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271388) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271388
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(C2CCCN2)cc(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N4O/c1-5-19-12(11-7-6-8-17-11)9-15(21)20-14(19)10-13(18-20)16(2,3)4/h9-11,17H,5-8H2,1-4H3
InChIKeyGLNGCWPATBDJIO-UHFFFAOYSA-N
XLogP2.24
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-methyl-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271356
5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271318
4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271379
4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271373
1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
CID 42576240
2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271513
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
1-ethyl-2-[(2S)-piperidin-2-yl]indole
CID 97181724
1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 83391956
7-tert-butyl-3-ethyl-5-[(2S)-pyrrolidin-2-yl]-1,4-dihydroquinazolin-2-one
CID 171606432
1-ethyl-2-[(2S)-pyrrolidin-2-yl]pyrrole
CID 100589849

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271388) is 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one is CCn1c(C2CCCN2)cc(=O)n2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GLNGCWPATBDJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-19-12(11-7-6-8-17-11)9-15(21)20-14(19)10-13(18-20)16(2,3)4/h9-11,17H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 288.39 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).