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

C16H18N4O — CID 82271251

IUPAC5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2cc3n(C)c(CCN)cc(=O)n3n2)cc1
InChIInChI=1S/C16H18N4O/c1-11-3-5-12(6-4-11)14-10-15-19(2)13(7-8-17)9-16(21)20(15)18-14/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyVSBHROCFBNEEBZ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.51
Rot. Bonds3

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

5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271251) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271251
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(-c2cc3n(C)c(CCN)cc(=O)n3n2)cc1
InChIInChI=1S/C16H18N4O/c1-11-3-5-12(6-4-11)14-10-15-19(2)13(7-8-17)9-16(21)20(15)18-14/h3-6,9-10H,7-8,17H2,1-2H3
InChIKeyVSBHROCFBNEEBZ-UHFFFAOYSA-N
XLogP1.51
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271307
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260
5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271191
5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271281
5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271236
4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271379
5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271225
5-(2-aminoethyl)-1,2-dimethylpyrazol-3-one
CID 83856689
3-(5-methyl-7-oxo-2-phenylpyrazolo[1,5-a]pyrimidin-4-yl)propanenitrile
CID 35433291
1,5-dimethyl-3-(4-methylphenyl)pyrazole
CID 10679126
2-(3-fluorophenyl)-4,8-dimethylpyrazolo[1,5-a]quinazolin-5-one
CID 90681336
2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole
CID 118710916

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 82271251) is 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccc(-c2cc3n(C)c(CCN)cc(=O)n3n2)cc1.
What is the InChIKey of 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VSBHROCFBNEEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-3-5-12(6-4-11)14-10-15-19(2)13(7-8-17)9-16(21)20(15)18-14/h3-6,9-10H,7-8,17H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 282.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).