5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one

C14H13ClN4O — CID 104735392

IUPAC5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1CCNc1ccccc1Cl
InChIInChI=1S/C14H13ClN4O/c15-11-3-1-2-4-12(11)16-7-8-18-9-10-19-13(14(18)20)5-6-17-19/h1-6,9-10,16H,7-8H2
InChIKeyIRSPAJKIKAMZNB-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.26
Rot. Bonds4

About 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one

5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104735392) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104735392
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1CCNc1ccccc1Cl
InChIInChI=1S/C14H13ClN4O/c15-11-3-1-2-4-12(11)16-7-8-18-9-10-19-13(14(18)20)5-6-17-19/h1-6,9-10,16H,7-8H2
InChIKeyIRSPAJKIKAMZNB-UHFFFAOYSA-N
XLogP2.26
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104735392) is 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2ccnn2ccn1CCNc1ccccc1Cl.
What is the InChIKey of 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is IRSPAJKIKAMZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-11-3-1-2-4-12(11)16-7-8-18-9-10-19-13(14(18)20)5-6-17-19/h1-6,9-10,16H,7-8H2.
What are the key properties of 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 288.74 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloroanilino)ethyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104735392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).