5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one

C21H19FN2O2 — CID 118706760

IUPAC5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
SMILESCC1(c2ccc(F)cc2)CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C21H19FN2O2/c1-21(15-7-9-16(22)10-8-15)11-12-24-19(20(21)25)13-17(23-24)14-26-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3
InChIKeySCBKYYJGFWZNRU-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.15
Rot. Bonds4

About 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one

5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one (PubChem CID 118706760) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
PubChem CID118706760
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
SMILESCC1(c2ccc(F)cc2)CCn2nc(COc3ccccc3)cc2C1=O
InChIInChI=1S/C21H19FN2O2/c1-21(15-7-9-16(22)10-8-15)11-12-24-19(20(21)25)13-17(23-24)14-26-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3
InChIKeySCBKYYJGFWZNRU-UHFFFAOYSA-N
XLogP4.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one with MolForge

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Related Compounds

1-[[2-[(2,4-Difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11406237
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-(2,4-difluoro-phenyl)-2-phenoxymethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 57411802
5-(2-Fluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973795
5-(3,4-Difluorophenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973817
5-(4-Methylphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973913
2-[(4-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974346
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-[(2-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974705
2-[(3-Fluorophenoxy)methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67975734

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one (CID 118706760) is 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one is CC1(c2ccc(F)cc2)CCn2nc(COc3ccccc3)cc2C1=O.
What is the InChIKey of 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
The InChIKey is SCBKYYJGFWZNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-21(15-7-9-16(22)10-8-15)11-12-24-19(20(21)25)13-17(23-24)14-26-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one?
5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one has a molecular weight of 350.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one is sourced from PubChem (CID 118706760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).