(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

C15H18N4O — CID 171945611

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCN1C2CCC1CC(C(=O)c1cnn3cccnc13)C2
InChIInChI=1S/C15H18N4O/c1-18-11-3-4-12(18)8-10(7-11)14(20)13-9-17-19-6-2-5-16-15(13)19/h2,5-6,9-12H,3-4,7-8H2,1H3
InChIKeyBPHFNAMGBNRYNS-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.78
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (PubChem CID 171945611) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
PubChem CID171945611
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
SMILESCN1C2CCC1CC(C(=O)c1cnn3cccnc13)C2
InChIInChI=1S/C15H18N4O/c1-18-11-3-4-12(18)8-10(7-11)14(20)13-9-17-19-6-2-5-16-15(13)19/h2,5-6,9-12H,3-4,7-8H2,1H3
InChIKeyBPHFNAMGBNRYNS-UHFFFAOYSA-N
XLogP1.78
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone with MolForge

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Related Compounds

[4-(1-Methylpyrazol-4-yl)piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 127339721
2-[3-(3,3-Difluoropiperidin-1-yl)-1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123672887
3-(Cyclopropylmethyl)-1-[5-[2-(3-fluoro-5,6-dimethylcyclohepta-1,3,6-trien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
CID 123960895
2-Cycloheptyl-1-[5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propan-1-one
CID 123973608
3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one
CID 155083923
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 159301414
2-[3-(Difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-[5-[4-(dimethylamino)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 161499669
2-[1-(2-Hydroxy-2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 70801962
1-[1-(2-Hydroxy-2-methylpropyl)-4-(2-oxo-2-pyrazolo[1,5-a]pyrimidin-3-ylethyl)pyrazol-3-yl]piperidine-3-carbonitrile
CID 70801973
2-Methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylpropan-1-one
CID 112712475
2-[1-(2-Hydroxy-2-methylpropyl)-3-(3-prop-2-enylpiperidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123379497
2-[1-(2-Hydroxy-2-methylpropyl)-3-(2-methylpiperidin-1-yl)pyrazol-4-yl]-1-pyrazolo[1,5-a]pyrimidin-3-ylbutan-1-one
CID 123412961

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone (CID 171945611) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is CN1C2CCC1CC(C(=O)c1cnn3cccnc13)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
The InChIKey is BPHFNAMGBNRYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-11-3-4-12(18)8-10(7-11)14(20)13-9-17-19-6-2-5-16-15(13)19/h2,5-6,9-12H,3-4,7-8H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-pyrazolo[1,5-a]pyrimidin-3-ylmethanone is sourced from PubChem (CID 171945611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).