5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one

C17H20N4O — CID 82271281

IUPAC5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CCN)cc(=O)n2nc(-c3cccc(C)c3)cc12
InChIInChI=1S/C17H20N4O/c1-3-20-14(7-8-18)10-17(22)21-16(20)11-15(19-21)13-6-4-5-12(2)9-13/h4-6,9-11H,3,7-8,18H2,1-2H3
InChIKeyIYAYZHTWFRDOAI-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.99
Rot. Bonds4

About 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one

5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271281) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271281
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CCN)cc(=O)n2nc(-c3cccc(C)c3)cc12
InChIInChI=1S/C17H20N4O/c1-3-20-14(7-8-18)10-17(22)21-16(20)11-15(19-21)13-6-4-5-12(2)9-13/h4-6,9-11H,3,7-8,18H2,1-2H3
InChIKeyIYAYZHTWFRDOAI-UHFFFAOYSA-N
XLogP1.99
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271251
5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271225
5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271307
5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271338
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260
5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271318
5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271236
5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271191
1-ethyl-4-(3-methylphenyl)imidazole
CID 174530735
[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 112593445
2-[4-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 105454374
2-[5-methyl-4-(3-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 82106276

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 82271281) is 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is CCn1c(CCN)cc(=O)n2nc(-c3cccc(C)c3)cc12.
What is the InChIKey of 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IYAYZHTWFRDOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-20-14(7-8-18)10-17(22)21-16(20)11-15(19-21)13-6-4-5-12(2)9-13/h4-6,9-11H,3,7-8,18H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 296.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).