3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one

C14H19N5O — CID 172717922

IUPAC3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
SMILESCCN1CCn2nc(Nc3cccn(C)c3=O)cc2C1
InChIInChI=1S/C14H19N5O/c1-3-18-7-8-19-11(10-18)9-13(16-19)15-12-5-4-6-17(2)14(12)20/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyGCPXYOWEZRCTJX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.16
Rot. Bonds3

About 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one

3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one (PubChem CID 172717922) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
PubChem CID172717922
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one
SMILESCCN1CCn2nc(Nc3cccn(C)c3=O)cc2C1
InChIInChI=1S/C14H19N5O/c1-3-18-7-8-19-11(10-18)9-13(16-19)15-12-5-4-6-17(2)14(12)20/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16)
InChIKeyGCPXYOWEZRCTJX-UHFFFAOYSA-N
XLogP1.16
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one?
The IUPAC name of 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one (CID 172717922) is 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one?
The canonical SMILES for 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one is CCN1CCn2nc(Nc3cccn(C)c3=O)cc2C1.
What is the InChIKey of 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one?
The InChIKey is GCPXYOWEZRCTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-18-7-8-19-11(10-18)9-13(16-19)15-12-5-4-6-17(2)14(12)20/h4-6,9H,3,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one?
3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-1-methylpyridin-2-one is sourced from PubChem (CID 172717922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).