3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one

C22H21N3O3 — CID 91894146

IUPAC3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1Cn1ccn2nc(-c3ccc(C)cc3)c(CO)c2c1=O
InChIInChI=1S/C22H21N3O3/c1-15-7-9-16(10-8-15)20-18(14-26)21-22(27)24(11-12-25(21)23-20)13-17-5-3-4-6-19(17)28-2/h3-12,26H,13-14H2,1-2H3
InChIKeyVUUUZMYEEDPQOE-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.02
Rot. Bonds5

About 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one

3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91894146) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91894146
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1Cn1ccn2nc(-c3ccc(C)cc3)c(CO)c2c1=O
InChIInChI=1S/C22H21N3O3/c1-15-7-9-16(10-8-15)20-18(14-26)21-22(27)24(11-12-25(21)23-20)13-17-5-3-4-6-19(17)28-2/h3-12,26H,13-14H2,1-2H3
InChIKeyVUUUZMYEEDPQOE-UHFFFAOYSA-N
XLogP3.02
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91887199
3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893848
5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894130
3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91893976
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893882
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-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91913703
5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894074
2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-methyl-N-phenylacetamide
CID 91903896
N-tert-butyl-2-[3-(hydroxymethyl)-4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91913713
N-butyl-2-[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91893981
ethyl 2-[[2-[2-(4-fluorophenyl)-3-(hydroxymethyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 91887249

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91894146) is 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is COc1ccccc1Cn1ccn2nc(-c3ccc(C)cc3)c(CO)c2c1=O.
What is the InChIKey of 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VUUUZMYEEDPQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15-7-9-16(10-8-15)20-18(14-26)21-22(27)24(11-12-25(21)23-20)13-17-5-3-4-6-19(17)28-2/h3-12,26H,13-14H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 375.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91894146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).