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

C21H20FN3O3 — CID 122190322

IUPAC(7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C21H20FN3O3/c1-14-12-24(17-9-7-15(22)8-10-17)21(26)18-11-16(23-25(14)18)13-28-20-6-4-3-5-19(20)27-2/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1
InChIKeyWHCICPOULZQPGX-CQSZACIVSA-N
MW381.41 g/mol
LogP3.83
Rot. Bonds5

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

(7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 122190322) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name(7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID122190322
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O
InChIInChI=1S/C21H20FN3O3/c1-14-12-24(17-9-7-15(22)8-10-17)21(26)18-11-16(23-25(14)18)13-28-20-6-4-3-5-19(20)27-2/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1
InChIKeyWHCICPOULZQPGX-CQSZACIVSA-N
XLogP3.83
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-fluorophenyl)-2-(pyridin-2-yloxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 67973779
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
5-(4-Methoxyphenyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974041
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 (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 122190322) is (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is COc1ccccc1OCc1cc2n(n1)[C@H](C)CN(c1ccc(F)cc1)C2=O.
What is the InChIKey of (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is WHCICPOULZQPGX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-14-12-24(17-9-7-15(22)8-10-17)21(26)18-11-16(23-25(14)18)13-28-20-6-4-3-5-19(20)27-2/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
(7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 381.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(4-fluorophenyl)-2-[(2-methoxyphenoxy)methyl]-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 122190322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).