4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

C19H22N4O — CID 4870355

IUPAC4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCC(C)c1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H22N4O/c1-14(2)17-12-18(22-8-10-24-11-9-22)23-19(21-17)16(13-20-23)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyVHHANBRFROCVKP-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.36
Rot. Bonds3

About 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 4870355) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID4870355
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCC(C)c1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C19H22N4O/c1-14(2)17-12-18(22-8-10-24-11-9-22)23-19(21-17)16(13-20-23)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3
InChIKeyVHHANBRFROCVKP-UHFFFAOYSA-N
XLogP3.36
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.36
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-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 4870355) is 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is CC(C)c1cc(N2CCOCC2)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is VHHANBRFROCVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14(2)17-12-18(22-8-10-24-11-9-22)23-19(21-17)16(13-20-23)15-6-4-3-5-7-15/h3-7,12-14H,8-11H2,1-2H3.
What are the key properties of 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 322.41 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 4870355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).