5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one

C12H16N4O2 — CID 104734863

IUPAC5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1CC(O)CNC1CC1
InChIInChI=1S/C12H16N4O2/c17-10(7-13-9-1-2-9)8-15-5-6-16-11(12(15)18)3-4-14-16/h3-6,9-10,13,17H,1-2,7-8H2
InChIKeyNGWNIHQKNOFQFP-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.39
Rot. Bonds5

About 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one

5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 104734863) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID104734863
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2ccnn2ccn1CC(O)CNC1CC1
InChIInChI=1S/C12H16N4O2/c17-10(7-13-9-1-2-9)8-15-5-6-16-11(12(15)18)3-4-14-16/h3-6,9-10,13,17H,1-2,7-8H2
InChIKeyNGWNIHQKNOFQFP-UHFFFAOYSA-N
XLogP-0.39
TPSA71.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one (CID 104734863) is 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2ccnn2ccn1CC(O)CNC1CC1.
What is the InChIKey of 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is NGWNIHQKNOFQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-10(7-13-9-1-2-9)8-15-5-6-16-11(12(15)18)3-4-14-16/h3-6,9-10,13,17H,1-2,7-8H2.
What are the key properties of 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one?
5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 248.29 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylamino)-2-hydroxypropyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 104734863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).