5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one

C18H16FN5O3 — CID 91894080

IUPAC5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1noc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)n1
InChIInChI=1S/C18H16FN5O3/c1-2-14-20-15(27-22-14)9-23-6-7-24-17(18(23)26)13(10-25)16(21-24)11-4-3-5-12(19)8-11/h3-8,25H,2,9-10H2,1H3
InChIKeyDHMMXCHLAXDPDP-UHFFFAOYSA-N
MW369.36 g/mol
LogP1.79
Rot. Bonds5

About 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one

5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91894080) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91894080
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCCc1noc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)n1
InChIInChI=1S/C18H16FN5O3/c1-2-14-20-15(27-22-14)9-23-6-7-24-17(18(23)26)13(10-25)16(21-24)11-4-3-5-12(19)8-11/h3-8,25H,2,9-10H2,1H3
InChIKeyDHMMXCHLAXDPDP-UHFFFAOYSA-N
XLogP1.79
TPSA98.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(hydroxymethyl)-2-phenyl-5-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893846
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(hydroxymethyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894018
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893897
3-(hydroxymethyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893843
5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894074
3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91893949
2-(3-fluorophenyl)-3-(hydroxymethyl)-5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91894046
3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893848
5-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893880
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893882
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894143
3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91887199

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91894080) is 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one is CCc1noc(Cn2ccn3nc(-c4cccc(F)c4)c(CO)c3c2=O)n1.
What is the InChIKey of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is DHMMXCHLAXDPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c1-2-14-20-15(27-22-14)9-23-6-7-24-17(18(23)26)13(10-25)16(21-24)11-4-3-5-12(19)8-11/h3-8,25H,2,9-10H2,1H3.
What are the key properties of 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 369.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91894080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).