1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one

C20H26N4O3 — CID 90649274

IUPAC1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1CCn2nc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C20H26N4O3/c25-19(6-7-22-10-12-27-13-11-22)23-8-9-24-17(15-23)14-18(21-24)20(26)16-4-2-1-3-5-16/h1-5,14,20,26H,6-13,15H2
InChIKeyPXROJLIPRCGMSA-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.03
Rot. Bonds5

About 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one

1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 90649274) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID90649274
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1CCn2nc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C20H26N4O3/c25-19(6-7-22-10-12-27-13-11-22)23-8-9-24-17(15-23)14-18(21-24)20(26)16-4-2-1-3-5-16/h1-5,14,20,26H,6-13,15H2
InChIKeyPXROJLIPRCGMSA-UHFFFAOYSA-N
XLogP1.03
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one (CID 90649274) is 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)N1CCn2nc(C(O)c3ccccc3)cc2C1.
What is the InChIKey of 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is PXROJLIPRCGMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-19(6-7-22-10-12-27-13-11-22)23-8-9-24-17(15-23)14-18(21-24)20(26)16-4-2-1-3-5-16/h1-5,14,20,26H,6-13,15H2.
What are the key properties of 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one?
1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 370.45 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 90649274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).