4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one

C11H12N2O2 — CID 115068748

IUPAC4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]cc(CO)c2=O)cc1
InChIInChI=1S/C11H12N2O2/c1-8-2-4-10(5-3-8)13-11(15)9(7-14)6-12-13/h2-6,12,14H,7H2,1H3
InChIKeyUPRTUEWLBONEII-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.97
Rot. Bonds2

About 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one

4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one (PubChem CID 115068748) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
PubChem CID115068748
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]cc(CO)c2=O)cc1
InChIInChI=1S/C11H12N2O2/c1-8-2-4-10(5-3-8)13-11(15)9(7-14)6-12-13/h2-6,12,14H,7H2,1H3
InChIKeyUPRTUEWLBONEII-UHFFFAOYSA-N
XLogP0.97
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-4-(hydroxymethyl)-1H-pyrazol-3-one
CID 115068749
4-(hydroxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 115068747
4-(aminomethyl)-2-(4-hydroxyphenyl)-1H-pyrazol-3-one
CID 83882340
3-(hydroxymethyl)-1,7-dimethylquinolin-2-one
CID 18802191
4-methyl-2-phenyl-1H-pyrazol-3-one
CID 12799760
4-(2-aminoethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 115068762
3-hydroxy-4-(2-hydroxyethyl)-2-(4-methylphenyl)-1H-pyrazol-5-one
CID 117123176
ethyl 2-[5-methyl-2-(4-methylphenyl)-3-oxo-1H-pyrazol-4-yl]acetate
CID 125453865
[3-bromo-1-(4-methylphenyl)pyrazol-4-yl]methanol
CID 165072337
5-methyl-2-(4-methylphenyl)-1H-indazol-3-one
CID 617153
3-ethyl-N,1-bis(4-methylphenyl)-5-oxo-2H-triazol-3-ium-4-carboximidate
CID 135610465
4-(2-methylpropanoyl)-2-phenyl-1H-pyrazol-3-one
CID 174459368

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one (CID 115068748) is 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one is Cc1ccc(-n2[nH]cc(CO)c2=O)cc1.
What is the InChIKey of 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is UPRTUEWLBONEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-2-4-10(5-3-8)13-11(15)9(7-14)6-12-13/h2-6,12,14H,7H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one?
4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-(4-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 115068748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).