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

C23H21N3O2 — CID 91894130

IUPAC5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESC=Cc1ccc(Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)cc1
InChIInChI=1S/C23H21N3O2/c1-3-17-6-8-18(9-7-17)14-25-12-13-26-22(23(25)28)20(15-27)21(24-26)19-10-4-16(2)5-11-19/h3-13,27H,1,14-15H2,2H3
InChIKeyUZPPAEBEPONBNO-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.66
Rot. Bonds5

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

5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 91894130) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
PubChem CID91894130
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
SMILESC=Cc1ccc(Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)cc1
InChIInChI=1S/C23H21N3O2/c1-3-17-6-8-18(9-7-17)14-25-12-13-26-22(23(25)28)20(15-27)21(24-26)19-10-4-16(2)5-11-19/h3-13,27H,1,14-15H2,2H3
InChIKeyUZPPAEBEPONBNO-UHFFFAOYSA-N
XLogP3.66
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(hydroxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91887199
3-(hydroxymethyl)-2-(4-methoxyphenyl)-5-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91893976
3-(hydroxymethyl)-5-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894146
N-[(4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)-2-(4-methylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 91894137
5-[(3,5-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893880
5-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91894106
5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27371202
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-(2-phenylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 91913703
2-(4-fluorophenyl)-3-(hydroxymethyl)-5-[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 91887273
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
5-[(2,4-difluorophenyl)methyl]-3-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893882
3-(hydroxymethyl)-5-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylpyrazolo[1,5-a]pyrazin-4-one
CID 91893848

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one (CID 91894130) is 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is C=Cc1ccc(Cn2ccn3nc(-c4ccc(C)cc4)c(CO)c3c2=O)cc1.
What is the InChIKey of 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is UZPPAEBEPONBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-3-17-6-8-18(9-7-17)14-25-12-13-26-22(23(25)28)20(15-27)21(24-26)19-10-4-16(2)5-11-19/h3-13,27H,1,14-15H2,2H3.
What are the key properties of 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one?
5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 371.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethenylphenyl)methyl]-3-(hydroxymethyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91894130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).