4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one

C11H12N2O2 — CID 165451129

IUPAC4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1-c1ccc(O)cc1
InChIInChI=1S/C11H12N2O2/c1-7-10(11(15)13(2)12-7)8-3-5-9(14)6-4-8/h3-6,12,14H,1-2H3
InChIKeyFLIZIMYZVBOXCM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.39
Rot. Bonds1

About 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one

4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one (PubChem CID 165451129) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one
PubChem CID165451129
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1-c1ccc(O)cc1
InChIInChI=1S/C11H12N2O2/c1-7-10(11(15)13(2)12-7)8-3-5-9(14)6-4-8/h3-6,12,14H,1-2H3
InChIKeyFLIZIMYZVBOXCM-UHFFFAOYSA-N
XLogP1.39
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Hydroxyphenyl)propanohydrazide
CID 2796587
2-(4-Hydroxyphenyl)acetohydrazide
CID 3731866
2-(4-Hydroxyphenyl)-N-methylacetamide
CID 12923078
4-[(4-Hydroxy-2-methylphenyl)methyl]-5-propan-2-yl-1,2-dihydropyrazol-3-one
CID 71718063
[[(4-Hydroxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]amino]urea
CID 145973273
4-[(5-hydroxy-3-methyl-1H-pyrazol-4-yl)(4-hydroxyphenyl)methyl]-3-methyl-1H-pyrazol-5-ol
CID 3154664
N'-acetyl-2-amino-3-(4-hydroxyphenyl)propanehydrazide
CID 349581
hydrazine, 1-acetyl-2-(L-tyrosyl)-
CID 92271198
4-[(2-Fluoro-4-hydroxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 71220887
4-[(3-Fluoro-4-hydroxyphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
CID 71220896
2-benzyl-4-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 91107682
3-(2-hydroxyphenyl)-2-methyl-1H-pyrazol-5-one
CID 105444082

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one?
The IUPAC name of 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one (CID 165451129) is 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one?
The canonical SMILES for 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one is Cc1[nH]n(C)c(=O)c1-c1ccc(O)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one?
The InChIKey is FLIZIMYZVBOXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7-10(11(15)13(2)12-7)8-3-5-9(14)6-4-8/h3-6,12,14H,1-2H3.
What are the key properties of 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one?
4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one is sourced from PubChem (CID 165451129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).