2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one

C20H23N5O3 — CID 90650331

IUPAC2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2
InChIInChI=1S/C20H23N5O3/c1-3-18(26)17-10-14-11-23(8-9-24(14)22-17)19(27)12-25-20(28)16-7-5-4-6-15(16)13(2)21-25/h4-7,10,18,26H,3,8-9,11-12H2,1-2H3
InChIKeyYROFNWJIVCDRJK-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.39
Rot. Bonds4

About 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one

2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one (PubChem CID 90650331) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one
PubChem CID90650331
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2
InChIInChI=1S/C20H23N5O3/c1-3-18(26)17-10-14-11-23(8-9-24(14)22-17)19(27)12-25-20(28)16-7-5-4-6-15(16)13(2)21-25/h4-7,10,18,26H,3,8-9,11-12H2,1-2H3
InChIKeyYROFNWJIVCDRJK-UHFFFAOYSA-N
XLogP1.39
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The IUPAC name of 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one (CID 90650331) is 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one.
What is the SMILES notation for 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The canonical SMILES for 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one is CCC(O)c1cc2n(n1)CCN(C(=O)Cn1nc(C)c3ccccc3c1=O)C2.
What is the InChIKey of 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
The InChIKey is YROFNWJIVCDRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-18(26)17-10-14-11-23(8-9-24(14)22-17)19(27)12-25-20(28)16-7-5-4-6-15(16)13(2)21-25/h4-7,10,18,26H,3,8-9,11-12H2,1-2H3.
What are the key properties of 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one?
2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one has a molecular weight of 381.44 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-4-methylphthalazin-1-one is sourced from PubChem (CID 90650331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).