5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C20H18FN3O2 — CID 67976023

IUPAC5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1c(COc2ccccc2)nn2c1C(=O)N(c1ccc(F)cc1)CC2
InChIInChI=1S/C20H18FN3O2/c1-14-18(13-26-17-5-3-2-4-6-17)22-24-12-11-23(20(25)19(14)24)16-9-7-15(21)8-10-16/h2-10H,11-13H2,1H3
InChIKeySZKPLMQIJGQOIN-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.57
Rot. Bonds4

About 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67976023) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67976023
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1c(COc2ccccc2)nn2c1C(=O)N(c1ccc(F)cc1)CC2
InChIInChI=1S/C20H18FN3O2/c1-14-18(13-26-17-5-3-2-4-6-17)22-24-12-11-23(20(25)19(14)24)16-9-7-15(21)8-10-16/h2-10H,11-13H2,1H3
InChIKeySZKPLMQIJGQOIN-UHFFFAOYSA-N
XLogP3.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67976023) is 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1c(COc2ccccc2)nn2c1C(=O)N(c1ccc(F)cc1)CC2.
What is the InChIKey of 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SZKPLMQIJGQOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-14-18(13-26-17-5-3-2-4-6-17)22-24-12-11-23(20(25)19(14)24)16-9-7-15(21)8-10-16/h2-10H,11-13H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 351.38 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67976023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).