(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

C15H17N3O2 — CID 171941712

IUPAC(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)O4)cn2n1
InChIInChI=1S/C15H17N3O2/c1-9-4-14-16-7-11(8-18(14)17-9)15(19)10-5-12-2-3-13(6-10)20-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3
InChIKeyGGXBEPLHQHKYDJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.18
Rot. Bonds2

About (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone

(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 171941712) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID171941712
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
SMILESCc1cc2ncc(C(=O)C3CC4CCC(C3)O4)cn2n1
InChIInChI=1S/C15H17N3O2/c1-9-4-14-16-7-11(8-18(14)17-9)15(19)10-5-12-2-3-13(6-10)20-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3
InChIKeyGGXBEPLHQHKYDJ-UHFFFAOYSA-N
XLogP2.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone with MolForge

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Related Compounds

2-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]-1-[5-[(1S,5R)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 159199786
4-Cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one;pentan-1-ol
CID 142613045
1-(5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-4-(4-pentoxycyclohexyl)butan-1-one
CID 142613053
2-(Oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 82271842
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl (1S,6R)-bicyclo[4.1.0]heptane-7-carboxylate
CID 96565276
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl (1S,6S)-bicyclo[4.1.0]heptane-7-carboxylate
CID 99814666
3-(2,3-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl (1R,6R)-bicyclo[4.1.0]heptane-7-carboxylate
CID 99814667
3-(2,3-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propyl bicyclo[4.1.0]heptane-7-carboxylate
CID 102559251
4-Cyclohexyl-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)butan-1-one
CID 142613046
8-Azabicyclo[3.2.1]octan-3-yl-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941706
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 171941707
Tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171941708

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone (CID 171941712) is (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is Cc1cc2ncc(C(=O)C3CC4CCC(C3)O4)cn2n1.
What is the InChIKey of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is GGXBEPLHQHKYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-4-14-16-7-11(8-18(14)17-9)15(19)10-5-12-2-3-13(6-10)20-12/h4,7-8,10,12-13H,2-3,5-6H2,1H3.
What are the key properties of (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone?
(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 171941712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).