(3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

C14H18N4O — CID 166234711

IUPAC(3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1nc2ccnn2c(C)c1C(=O)N1CC(C)(C)C1
InChIInChI=1S/C14H18N4O/c1-9-12(13(19)17-7-14(3,4)8-17)10(2)18-11(16-9)5-6-15-18/h5-6H,7-8H2,1-4H3
InChIKeyFRYPMGCXMFCZRK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.83
Rot. Bonds1

About (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

(3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 166234711) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID166234711
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCc1nc2ccnn2c(C)c1C(=O)N1CC(C)(C)C1
InChIInChI=1S/C14H18N4O/c1-9-12(13(19)17-7-14(3,4)8-17)10(2)18-11(16-9)5-6-15-18/h5-6H,7-8H2,1-4H3
InChIKeyFRYPMGCXMFCZRK-UHFFFAOYSA-N
XLogP1.83
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 166234711) is (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is Cc1nc2ccnn2c(C)c1C(=O)N1CC(C)(C)C1.
What is the InChIKey of (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is FRYPMGCXMFCZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-12(13(19)17-7-14(3,4)8-17)10(2)18-11(16-9)5-6-15-18/h5-6H,7-8H2,1-4H3.
What are the key properties of (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone?
(3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-1-yl)-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 166234711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).