4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one

C16H22N4O2 — CID 82271373

IUPAC4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(C2CCCN2)cc(=O)n2nc(C3CCOCC3)cc12
InChIInChI=1S/C16H22N4O2/c1-19-14(12-3-2-6-17-12)10-16(21)20-15(19)9-13(18-20)11-4-7-22-8-5-11/h9-12,17H,2-8H2,1H3
InChIKeyLIUHWAJKLHLZPW-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.35
Rot. Bonds2

About 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one

4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271373) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271373
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(C2CCCN2)cc(=O)n2nc(C3CCOCC3)cc12
InChIInChI=1S/C16H22N4O2/c1-19-14(12-3-2-6-17-12)10-16(21)20-15(19)9-13(18-20)11-4-7-22-8-5-11/h9-12,17H,2-8H2,1H3
InChIKeyLIUHWAJKLHLZPW-UHFFFAOYSA-N
XLogP1.35
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271379
2-(oxan-4-yl)-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271501
2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271388
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271352
1-methyl-6-piperidin-2-ylpyrimidine-2,4-dione
CID 115026341
2-methyl-3-[(2S)-pyrrolidin-2-yl]-1H-pyrazol-5-one
CID 83845962
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 83391956
5-(1-methylimidazol-4-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 104879912
5-(1,7-dimethylindol-2-yl)-1,4-oxazepane
CID 82664742
7-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyridine
CID 83831853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271373) is 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one is Cn1c(C2CCCN2)cc(=O)n2nc(C3CCOCC3)cc12.
What is the InChIKey of 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LIUHWAJKLHLZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-19-14(12-3-2-6-17-12)10-16(21)20-15(19)9-13(18-20)11-4-7-22-8-5-11/h9-12,17H,2-8H2,1H3.
What are the key properties of 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 302.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).