5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H20N4O2 — CID 98775409

IUPAC5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C18H20N4O2/c1-13-10-21(16(12-24-13)14-5-3-2-4-6-14)11-15-9-18(23)22-17(20-15)7-8-19-22/h2-9,13,16,19H,10-12H2,1H3/t13-,16-/m1/s1
InChIKeyDABVCRXKDXEBBS-CZUORRHYSA-N
MW324.38 g/mol
LogP1.98
Rot. Bonds3

About 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98775409) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98775409
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESC[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)[C@@H](c2ccccc2)CO1
InChIInChI=1S/C18H20N4O2/c1-13-10-21(16(12-24-13)14-5-3-2-4-6-14)11-15-9-18(23)22-17(20-15)7-8-19-22/h2-9,13,16,19H,10-12H2,1H3/t13-,16-/m1/s1
InChIKeyDABVCRXKDXEBBS-CZUORRHYSA-N
XLogP1.98
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98775409) is 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is C[C@@H]1CN(Cc2cc(=O)n3[nH]ccc3n2)[C@@H](c2ccccc2)CO1.
What is the InChIKey of 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DABVCRXKDXEBBS-CZUORRHYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13-10-21(16(12-24-13)14-5-3-2-4-6-14)11-15-9-18(23)22-17(20-15)7-8-19-22/h2-9,13,16,19H,10-12H2,1H3/t13-,16-/m1/s1.
What are the key properties of 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 324.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R,5S)-2-methyl-5-phenylmorpholin-4-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98775409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).