4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

C18H20N4O — CID 665375

IUPAC4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C18H20N4O/c1-13-12-16(21-8-10-23-11-9-21)22-18(19-13)17(14(2)20-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyGSCIZNQUYSXBGL-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.85
Rot. Bonds2

About 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 665375) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID665375
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1
InChIInChI=1S/C18H20N4O/c1-13-12-16(21-8-10-23-11-9-21)22-18(19-13)17(14(2)20-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyGSCIZNQUYSXBGL-UHFFFAOYSA-N
XLogP2.85
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 665375) is 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1.
What is the InChIKey of 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is GSCIZNQUYSXBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-12-16(21-8-10-23-11-9-21)22-18(19-13)17(14(2)20-22)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 308.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 665375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).