5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H24N4O3 — CID 91835961

IUPAC5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(OCCCN(C)Cc2cc(=O)n3[nH]c(C)cc3n2)c1
InChIInChI=1S/C19H24N4O3/c1-14-10-18-20-15(11-19(24)23(18)21-14)13-22(2)8-5-9-26-17-7-4-6-16(12-17)25-3/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3
InChIKeyXTAXFYSXHOUFFE-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.24
Rot. Bonds8

About 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 91835961) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID91835961
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1cccc(OCCCN(C)Cc2cc(=O)n3[nH]c(C)cc3n2)c1
InChIInChI=1S/C19H24N4O3/c1-14-10-18-20-15(11-19(24)23(18)21-14)13-22(2)8-5-9-26-17-7-4-6-16(12-17)25-3/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3
InChIKeyXTAXFYSXHOUFFE-UHFFFAOYSA-N
XLogP2.24
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 91835961) is 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1cccc(OCCCN(C)Cc2cc(=O)n3[nH]c(C)cc3n2)c1.
What is the InChIKey of 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XTAXFYSXHOUFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-10-18-20-15(11-19(24)23(18)21-14)13-22(2)8-5-9-26-17-7-4-6-16(12-17)25-3/h4,6-7,10-12,21H,5,8-9,13H2,1-3H3.
What are the key properties of 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 356.43 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-methoxyphenoxy)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91835961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).