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

C18H20N4O — CID 82271379

IUPAC4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2cc3n(C)c(C4CCCN4)cc(=O)n3n2)cc1
InChIInChI=1S/C18H20N4O/c1-12-5-7-13(8-6-12)15-10-17-21(2)16(14-4-3-9-19-14)11-18(23)22(17)20-15/h5-8,10-11,14,19H,3-4,9H2,1-2H3
InChIKeyGXKYBZPDSRPLPI-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.43
Rot. Bonds2

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

4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271379) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271379
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2cc3n(C)c(C4CCCN4)cc(=O)n3n2)cc1
InChIInChI=1S/C18H20N4O/c1-12-5-7-13(8-6-12)15-10-17-21(2)16(14-4-3-9-19-14)11-18(23)22(17)20-15/h5-8,10-11,14,19H,3-4,9H2,1-2H3
InChIKeyGXKYBZPDSRPLPI-UHFFFAOYSA-N
XLogP2.43
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(oxan-4-yl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271373
5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271251
4-methyl-5-piperidin-4-yl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271352
2-tert-butyl-4-ethyl-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271388
5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271307
1,3-dimethyl-5-[(2R)-pyrrolidin-2-yl]pyrazole
CID 42575745
4-bromo-1-methyl-5-(4-methylphenyl)-3-pyrrolidin-2-ylpyrazole
CID 84604265
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271191
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
6-methyl-2-pyrrolidin-2-ylpyrazolo[1,5-a]pyridine
CID 83831852
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271379) is 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one is Cc1ccc(-c2cc3n(C)c(C4CCCN4)cc(=O)n3n2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GXKYBZPDSRPLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-5-7-13(8-6-12)15-10-17-21(2)16(14-4-3-9-19-14)11-18(23)22(17)20-15/h5-8,10-11,14,19H,3-4,9H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 308.39 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).