4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

C18H20N4O — CID 4912264

IUPAC4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1nc2c(-c3ccccc3)cnn2c(N2CCOCC2)c1C
InChIInChI=1S/C18H20N4O/c1-13-14(2)20-17-16(15-6-4-3-5-7-15)12-19-22(17)18(13)21-8-10-23-11-9-21/h3-7,12H,8-11H2,1-2H3
InChIKeyXXRYPRXTIBJSGZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.85
Rot. Bonds2

About 4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 4912264) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID4912264
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCc1nc2c(-c3ccccc3)cnn2c(N2CCOCC2)c1C
InChIInChI=1S/C18H20N4O/c1-13-14(2)20-17-16(15-6-4-3-5-7-15)12-19-22(17)18(13)21-8-10-23-11-9-21/h3-7,12H,8-11H2,1-2H3
InChIKeyXXRYPRXTIBJSGZ-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-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 4912264) is 4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is Cc1nc2c(-c3ccccc3)cnn2c(N2CCOCC2)c1C.
What is the InChIKey of 4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is XXRYPRXTIBJSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-14(2)20-17-16(15-6-4-3-5-7-15)12-19-22(17)18(13)21-8-10-23-11-9-21/h3-7,12H,8-11H2,1-2H3.
What are the key properties of 4-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(5,6-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-(5,6-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 4912264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).