4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine

C17H17ClN4O — CID 151938074

IUPAC4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine
SMILESClc1ccn2ncc(-c3ccc(CN4CCOCC4)cc3)c2n1
InChIInChI=1S/C17H17ClN4O/c18-16-5-6-22-17(20-16)15(11-19-22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
InChIKeyTUBKAYODFBMAGK-UHFFFAOYSA-N
MW328.80 g/mol
LogP2.88
Rot. Bonds3

About 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine

4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine (PubChem CID 151938074) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine
PubChem CID151938074
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine
SMILESClc1ccn2ncc(-c3ccc(CN4CCOCC4)cc3)c2n1
InChIInChI=1S/C17H17ClN4O/c18-16-5-6-22-17(20-16)15(11-19-22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2
InChIKeyTUBKAYODFBMAGK-UHFFFAOYSA-N
XLogP2.88
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine (CID 151938074) is 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine is Clc1ccn2ncc(-c3ccc(CN4CCOCC4)cc3)c2n1.
What is the InChIKey of 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine?
The InChIKey is TUBKAYODFBMAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-16-5-6-22-17(20-16)15(11-19-22)14-3-1-13(2-4-14)12-21-7-9-23-10-8-21/h1-6,11H,7-10,12H2.
What are the key properties of 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine?
4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine has a molecular weight of 328.80 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 151938074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).