5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one

C22H21N3O4 — CID 125128815

IUPAC5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cccc(-c2cc3c(=O)n(C[C@H](O)c4cccc(OC)c4)ccn3n2)c1
InChIInChI=1S/C22H21N3O4/c1-28-17-7-3-5-15(11-17)19-13-20-22(27)24(9-10-25(20)23-19)14-21(26)16-6-4-8-18(12-16)29-2/h3-13,21,26H,14H2,1-2H3/t21-/m0/s1
InChIKeyXFTDEBPFQFHUOO-NRFANRHFSA-N
MW391.43 g/mol
LogP2.91
Rot. Bonds6

About 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one

5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 125128815) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID125128815
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1cccc(-c2cc3c(=O)n(C[C@H](O)c4cccc(OC)c4)ccn3n2)c1
InChIInChI=1S/C22H21N3O4/c1-28-17-7-3-5-15(11-17)19-13-20-22(27)24(9-10-25(20)23-19)14-21(26)16-6-4-8-18(12-16)29-2/h3-13,21,26H,14H2,1-2H3/t21-/m0/s1
InChIKeyXFTDEBPFQFHUOO-NRFANRHFSA-N
XLogP2.91
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125129049
5-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125127405
5-ethyl-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 172906425
5-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125125759
2-(4-fluorophenyl)-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889207
2-(3-bromophenyl)-5-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91889267
2,6-difluoro-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892885
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]benzamide
CID 91892925
5-[(2S)-2-(3-bromophenyl)-2-hydroxyethyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125128543
2-(3-bromophenyl)-5-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 125127714
5-[2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91889255
5-[(2R)-2-hydroxy-2-(2,4,5-trimethylphenyl)ethyl]-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 125126020

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 125128815) is 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one is COc1cccc(-c2cc3c(=O)n(C[C@H](O)c4cccc(OC)c4)ccn3n2)c1.
What is the InChIKey of 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is XFTDEBPFQFHUOO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-28-17-7-3-5-15(11-17)19-13-20-22(27)24(9-10-25(20)23-19)14-21(26)16-6-4-8-18(12-16)29-2/h3-13,21,26H,14H2,1-2H3/t21-/m0/s1.
What are the key properties of 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 391.43 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 125128815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).