2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C12H13N3O2 — CID 115038208

IUPAC2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(-c3cccc(O)c3)c(=O)c21
InChIInChI=1S/C12H13N3O2/c1-7-11-10(6-13-7)14-15(12(11)17)8-3-2-4-9(16)5-8/h2-5,7,13-14,16H,6H2,1H3
InChIKeyPIFGGJBXCMFYFO-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.04
Rot. Bonds1

About 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 115038208) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID115038208
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(-c3cccc(O)c3)c(=O)c21
InChIInChI=1S/C12H13N3O2/c1-7-11-10(6-13-7)14-15(12(11)17)8-3-2-4-9(16)5-8/h2-5,7,13-14,16H,6H2,1H3
InChIKeyPIFGGJBXCMFYFO-UHFFFAOYSA-N
XLogP1.04
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-5-ethyl-2-(3-hydroxyphenyl)-1H-pyrazol-3-one
CID 117123879
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
1-(3-hydroxyphenyl)-4,4-dimethylimidazolidin-2-one
CID 105458800
3-[2-(3-hydroxyphenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]propanoic acid
CID 117124050
4-(3-hydroxyphenyl)-1,2,4-triazolidine-3,5-dione
CID 107409889
(3aR,7aR)-2-(3-hydroxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 866454
3-(4-methyl-1,5-dihydropyrazol-2-yl)phenol
CID 126661673
(6S)-1-(3-hydroxyphenyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 702845
2-(3-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
CID 105492392
2-(3-hydroxyphenyl)-4-(methylaminomethyl)-1H-pyrazol-5-one
CID 83888737
2-[2-(3-hydroxyphenyl)-5-oxo-1H-pyrazol-4-yl]acetic acid
CID 83895937
3-[2-(3-hydroxyphenyl)-3-oxo-1H-pyrazol-4-yl]propanoic acid
CID 115068713

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 115038208) is 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC1NCc2[nH]n(-c3cccc(O)c3)c(=O)c21.
What is the InChIKey of 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is PIFGGJBXCMFYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-11-10(6-13-7)14-15(12(11)17)8-3-2-4-9(16)5-8/h2-5,7,13-14,16H,6H2,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 231.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 115038208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).