5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C12H15N3O — CID 130370399

IUPAC5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC[C@H]1C[C@@H]1CCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C12H15N3O/c1-8-6-9(8)2-3-10-7-12(16)15-11(14-10)4-5-13-15/h4-5,7-9,13H,2-3,6H2,1H3/t8-,9-/m0/s1
InChIKeyGQGWPTHTCMWWEJ-IUCAKERBSA-N
MW217.27 g/mol
LogP1.61
Rot. Bonds3

About 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 130370399) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID130370399
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC[C@H]1C[C@@H]1CCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C12H15N3O/c1-8-6-9(8)2-3-10-7-12(16)15-11(14-10)4-5-13-15/h4-5,7-9,13H,2-3,6H2,1H3/t8-,9-/m0/s1
InChIKeyGQGWPTHTCMWWEJ-IUCAKERBSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 130370399) is 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is C[C@H]1C[C@@H]1CCc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GQGWPTHTCMWWEJ-IUCAKERBSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8-6-9(8)2-3-10-7-12(16)15-11(14-10)4-5-13-15/h4-5,7-9,13H,2-3,6H2,1H3/t8-,9-/m0/s1.
What are the key properties of 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 217.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S,2S)-2-methylcyclopropyl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130370399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).