4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

C20H22N4O — CID 4906222

IUPAC4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESC=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCOCC1
InChIInChI=1S/C20H22N4O/c1-3-7-17-15(2)22-19-18(16-8-5-4-6-9-16)14-21-24(19)20(17)23-10-12-25-13-11-23/h3-6,8-9,14H,1,7,10-13H2,2H3
InChIKeyRXNHCYOVTBWAAP-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.27
Rot. Bonds4

About 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine

4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 4906222) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID4906222
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESC=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCOCC1
InChIInChI=1S/C20H22N4O/c1-3-7-17-15(2)22-19-18(16-8-5-4-6-9-16)14-21-24(19)20(17)23-10-12-25-13-11-23/h3-6,8-9,14H,1,7,10-13H2,2H3
InChIKeyRXNHCYOVTBWAAP-UHFFFAOYSA-N
XLogP3.27
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 4906222) is 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1N1CCOCC1.
What is the InChIKey of 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is RXNHCYOVTBWAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-7-17-15(2)22-19-18(16-8-5-4-6-9-16)14-21-24(19)20(17)23-10-12-25-13-11-23/h3-6,8-9,14H,1,7,10-13H2,2H3.
What are the key properties of 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine?
4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 334.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 4906222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).