5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

C21H20N2O2 — CID 118706138

IUPAC5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCC1Cc1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21-17(13-16-7-3-1-4-8-16)11-12-23-20(21)14-18(22-23)15-25-19-9-5-2-6-10-19/h1-10,14,17H,11-13,15H2
InChIKeyNZUUDMOPBXMRKX-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.91
Rot. Bonds5

About 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one

5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (PubChem CID 118706138) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

Compound Name5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
PubChem CID118706138
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
SMILESO=C1c2cc(COc3ccccc3)nn2CCC1Cc1ccccc1
InChIInChI=1S/C21H20N2O2/c24-21-17(13-16-7-3-1-4-8-16)11-12-23-20(21)14-18(22-23)15-25-19-9-5-2-6-10-19/h1-10,14,17H,11-13,15H2
InChIKeyNZUUDMOPBXMRKX-UHFFFAOYSA-N
XLogP3.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
5-(4-fluorophenyl)-2-(p-tolyloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57410027
5-(2-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973795
5-(4-Methylphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973913
5-(4-Methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974041
5-(3-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974464
5-(4-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974644
2-(phenoxymethyl)-6,7-dihydropyrazolo(1,5-a)pyridin-4(5H)-one
CID 70660712
2-(benzyloxy)-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 72714783
2-(3,5-Dimethyl-1-pyrazolyl)-1-[3-[oxo-(3-propan-2-yloxyphenyl)methyl]-1-piperidinyl]ethanone
CID 16190091
{1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(3-isopropoxyphenyl)methanone
CID 16191881
Ethyl 1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-phenylpyrazole-5-carboxylate
CID 42601288

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The IUPAC name of 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one (CID 118706138) is 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one.
What is the SMILES notation for 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The canonical SMILES for 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is O=C1c2cc(COc3ccccc3)nn2CCC1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
The InChIKey is NZUUDMOPBXMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-21-17(13-16-7-3-1-4-8-16)11-12-23-20(21)14-18(22-23)15-25-19-9-5-2-6-10-19/h1-10,14,17H,11-13,15H2.
What are the key properties of 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one?
5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one has a molecular weight of 332.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 118706138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).