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

C20H18N4O3 — CID 91893976

IUPAC3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nn3ccn(Cc4ccncc4)c(=O)c3c2CO)cc1
InChIInChI=1S/C20H18N4O3/c1-27-16-4-2-15(3-5-16)18-17(13-25)19-20(26)23(10-11-24(19)22-18)12-14-6-8-21-9-7-14/h2-11,25H,12-13H2,1H3
InChIKeyVOLZNVBMFKMOKR-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.11
Rot. Bonds5

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

3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91893976) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91893976
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccc(-c2nn3ccn(Cc4ccncc4)c(=O)c3c2CO)cc1
InChIInChI=1S/C20H18N4O3/c1-27-16-4-2-15(3-5-16)18-17(13-25)19-20(26)23(10-11-24(19)22-18)12-14-6-8-21-9-7-14/h2-11,25H,12-13H2,1H3
InChIKeyVOLZNVBMFKMOKR-UHFFFAOYSA-N
XLogP2.11
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-(hydroxymethyl)-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894018
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
7-chloro-2-[[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 91893971
N-butyl-2-[3-(hydroxymethyl)-2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91893981
5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894130
3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894146
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
5-[(3-fluoro-4-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894074
2-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
CID 163358302
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893882

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91893976) is 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one is COc1ccc(-c2nn3ccn(Cc4ccncc4)c(=O)c3c2CO)cc1.
What is the InChIKey of 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is VOLZNVBMFKMOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-27-16-4-2-15(3-5-16)18-17(13-25)19-20(26)23(10-11-24(19)22-18)12-14-6-8-21-9-7-14/h2-11,25H,12-13H2,1H3.
What are the key properties of 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one?
3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 362.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91893976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).