5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one

C15H18N6O — CID 82271338

IUPAC5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CCCN)cc(=O)n2nc(-c3cnccn3)cc12
InChIInChI=1S/C15H18N6O/c1-2-20-11(4-3-5-16)8-15(22)21-14(20)9-12(19-21)13-10-17-6-7-18-13/h6-10H,2-5,16H2,1H3
InChIKeyPWNGQRUMCMIPPD-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.86
Rot. Bonds5

About 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one

5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271338) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271338
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CCCN)cc(=O)n2nc(-c3cnccn3)cc12
InChIInChI=1S/C15H18N6O/c1-2-20-11(4-3-5-16)8-15(22)21-14(20)9-12(19-21)13-10-17-6-7-18-13/h6-10H,2-5,16H2,1H3
InChIKeyPWNGQRUMCMIPPD-UHFFFAOYSA-N
XLogP0.86
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-7-oxo-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271629
5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271318
5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271281
5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271307
5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271225
(1-ethyl-3-pyrazin-2-ylpyrazol-5-yl)methanamine
CID 121211007
1-ethyl-6-pyrazin-2-ylimidazo[2,1-e]pyrazole
CID 121214927
5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271251
(5-propyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270379
2-(5-ethyl-1-prop-2-ynylpyrazol-3-yl)pyrazine
CID 121211870
(5-ethyl-3-pyrazin-2-ylpyrazol-1-yl)methanol
CID 121211863
4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 10243363

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271338) is 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one is CCn1c(CCCN)cc(=O)n2nc(-c3cnccn3)cc12.
What is the InChIKey of 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PWNGQRUMCMIPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-2-20-11(4-3-5-16)8-15(22)21-14(20)9-12(19-21)13-10-17-6-7-18-13/h6-10H,2-5,16H2,1H3.
What are the key properties of 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one?
5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 298.35 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).