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

C19H24N4O3 — CID 90652933

IUPAC1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCn2nc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C19H24N4O3/c24-18(14-21-8-10-26-11-9-21)22-6-7-23-16(13-22)12-17(20-23)19(25)15-4-2-1-3-5-15/h1-5,12,19,25H,6-11,13-14H2
InChIKeyVVURXFFEYWTNAT-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.64
Rot. Bonds4

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

1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone (PubChem CID 90652933) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone
PubChem CID90652933
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCn2nc(C(O)c3ccccc3)cc2C1
InChIInChI=1S/C19H24N4O3/c24-18(14-21-8-10-26-11-9-21)22-6-7-23-16(13-22)12-17(20-23)19(25)15-4-2-1-3-5-15/h1-5,12,19,25H,6-11,13-14H2
InChIKeyVVURXFFEYWTNAT-UHFFFAOYSA-N
XLogP0.64
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone (CID 90652933) is 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)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]-2-morpholin-4-ylethanone?
The InChIKey is VVURXFFEYWTNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-18(14-21-8-10-26-11-9-21)22-6-7-23-16(13-22)12-17(20-23)19(25)15-4-2-1-3-5-15/h1-5,12,19,25H,6-11,13-14H2.
What are the key properties of 1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone?
1-[2-[hydroxy(phenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-morpholin-4-ylethanone has a molecular weight of 356.43 g/mol, XLogP of 0.64, 4 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]-2-morpholin-4-ylethanone is sourced from PubChem (CID 90652933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).