4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

C19H22N4O — CID 4973688

IUPAC4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCCCc1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H22N4O/c1-2-6-16-13-18(22-9-11-24-12-10-22)23-19(21-16)17(14-20-23)15-7-4-3-5-8-15/h3-5,7-8,13-14H,2,6,9-12H2,1H3
InChIKeyBFYWURBSSGDBEP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.19
Rot. Bonds4

About 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 4973688) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID4973688
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCCCc1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H22N4O/c1-2-6-16-13-18(22-9-11-24-12-10-22)23-19(21-16)17(14-20-23)15-7-4-3-5-8-15/h3-5,7-8,13-14H,2,6,9-12H2,1H3
InChIKeyBFYWURBSSGDBEP-UHFFFAOYSA-N
XLogP3.19
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 4973688) is 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is CCCc1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is BFYWURBSSGDBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-6-16-13-18(22-9-11-24-12-10-22)23-19(21-16)17(14-20-23)15-7-4-3-5-8-15/h3-5,7-8,13-14H,2,6,9-12H2,1H3.
What are the key properties of 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 322.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 4973688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).