N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H20N4O — CID 3227938

IUPACN-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C17H20N4O/c1-12-4-6-14(7-5-12)15-11-17-19-13(2)10-16(21(17)20-15)18-8-9-22-3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyLOSVVVVBONSYEC-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.07
Rot. Bonds5

About N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3227938) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3227938
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12
InChIInChI=1S/C17H20N4O/c1-12-4-6-14(7-5-12)15-11-17-19-13(2)10-16(21(17)20-15)18-8-9-22-3/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyLOSVVVVBONSYEC-UHFFFAOYSA-N
XLogP3.07
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 3227938) is N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCCNc1cc(C)nc2cc(-c3ccc(C)cc3)nn12.
What is the InChIKey of N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LOSVVVVBONSYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-4-6-14(7-5-12)15-11-17-19-13(2)10-16(21(17)20-15)18-8-9-22-3/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 296.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3227938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).