(2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine

C18H20N4O — CID 95893782

IUPAC(2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine
SMILESCCc1cc(N2CCO[C@H](c3ccccc3)C2)n2nccc2n1
InChIInChI=1S/C18H20N4O/c1-2-15-12-18(22-17(20-15)8-9-19-22)21-10-11-23-16(13-21)14-6-4-3-5-7-14/h3-9,12,16H,2,10-11,13H2,1H3/t16-/m0/s1
InChIKeyYKTJPRODRAQBOF-INIZCTEOSA-N
MW308.39 g/mol
LogP2.87
Rot. Bonds3

About (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine

(2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine (PubChem CID 95893782) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine.

Molecular Properties

Compound Name(2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine
PubChem CID95893782
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine
SMILESCCc1cc(N2CCO[C@H](c3ccccc3)C2)n2nccc2n1
InChIInChI=1S/C18H20N4O/c1-2-15-12-18(22-17(20-15)8-9-19-22)21-10-11-23-16(13-21)14-6-4-3-5-7-14/h3-9,12,16H,2,10-11,13H2,1H3/t16-/m0/s1
InChIKeyYKTJPRODRAQBOF-INIZCTEOSA-N
XLogP2.87
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine?
The IUPAC name of (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine (CID 95893782) is (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine.
What is the SMILES notation for (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine?
The canonical SMILES for (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine is CCc1cc(N2CCO[C@H](c3ccccc3)C2)n2nccc2n1.
What is the InChIKey of (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine?
The InChIKey is YKTJPRODRAQBOF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-15-12-18(22-17(20-15)8-9-19-22)21-10-11-23-16(13-21)14-6-4-3-5-7-14/h3-9,12,16H,2,10-11,13H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine?
(2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine has a molecular weight of 308.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-2-phenylmorpholine is sourced from PubChem (CID 95893782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).