4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C18H20N4O — CID 4909114

IUPAC4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccc(-c2cnn3c(N4CCOCC4)cc(C)nc23)cc1
InChIInChI=1S/C18H20N4O/c1-13-3-5-15(6-4-13)16-12-19-22-17(11-14(2)20-18(16)22)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyIDUCPGXKTWVBIB-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.85
Rot. Bonds2

About 4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 4909114) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID4909114
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCc1ccc(-c2cnn3c(N4CCOCC4)cc(C)nc23)cc1
InChIInChI=1S/C18H20N4O/c1-13-3-5-15(6-4-13)16-12-19-22-17(11-14(2)20-18(16)22)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3
InChIKeyIDUCPGXKTWVBIB-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 ≤ 500308.39
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-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 4909114) is 4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is Cc1ccc(-c2cnn3c(N4CCOCC4)cc(C)nc23)cc1.
What is the InChIKey of 4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is IDUCPGXKTWVBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-3-5-15(6-4-13)16-12-19-22-17(11-14(2)20-18(16)22)21-7-9-23-10-8-21/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 308.39 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-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 4909114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).