5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one

C16H18N4O2 — CID 82271228

IUPAC5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CN)cc(=O)n2nc(-c3ccc(OC)cc3)cc12
InChIInChI=1S/C16H18N4O2/c1-3-19-12(10-17)8-16(21)20-15(19)9-14(18-20)11-4-6-13(22-2)7-5-11/h4-9H,3,10,17H2,1-2H3
InChIKeyXJBBRKQJXVGGMA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.65
Rot. Bonds4

About 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one

5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271228) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271228
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CN)cc(=O)n2nc(-c3ccc(OC)cc3)cc12
InChIInChI=1S/C16H18N4O2/c1-3-19-12(10-17)8-16(21)20-15(19)9-14(18-20)11-4-6-13(22-2)7-5-11/h4-9H,3,10,17H2,1-2H3
InChIKeyXJBBRKQJXVGGMA-UHFFFAOYSA-N
XLogP1.65
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271225
[1-ethyl-3-(4-methoxyphenyl)pyrazol-5-yl]methanamine
CID 84761591
5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271191
5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271251
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
4-(2-aminopropan-2-yl)-2-ethyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 82445115
7-chloro-5-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 82269989
2,3-bis(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazole
CID 118710916
3-(3-aminopropyl)-6-(4-methoxyphenyl)-2-methylpyrimidin-4-one
CID 82105226
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271318

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 82271228) is 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one is CCn1c(CN)cc(=O)n2nc(-c3ccc(OC)cc3)cc12.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XJBBRKQJXVGGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-19-12(10-17)8-16(21)20-15(19)9-14(18-20)11-4-6-13(22-2)7-5-11/h4-9H,3,10,17H2,1-2H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one?
5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 298.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).