5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid

C11H12N2O4 — CID 175183824

IUPAC5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid
SMILESCC1CN(C(=O)O)N=C1c1ccc(O)cc1O
InChIInChI=1S/C11H12N2O4/c1-6-5-13(11(16)17)12-10(6)8-3-2-7(14)4-9(8)15/h2-4,6,14-15H,5H2,1H3,(H,16,17)
InChIKeyLEBNDTVZHVOXMS-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.43
Rot. Bonds1

About 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid

5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid (PubChem CID 175183824) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid
PubChem CID175183824
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid
SMILESCC1CN(C(=O)O)N=C1c1ccc(O)cc1O
InChIInChI=1S/C11H12N2O4/c1-6-5-13(11(16)17)12-10(6)8-3-2-7(14)4-9(8)15/h2-4,6,14-15H,5H2,1H3,(H,16,17)
InChIKeyLEBNDTVZHVOXMS-UHFFFAOYSA-N
XLogP1.43
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}

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Related Compounds

1-(3-(2,4-dihydroxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 135509938
4,5-Dihydro-(1H)-pyrazole derivative, 3l
CID 135424775
4,5-Dihydro-(1H)-pyrazole derivative, 3m
CID 135489458
4,5-Dihydro-(1H)-pyrazole derivative, 3n
CID 135502906
4,5-Dihydro-(1H)-pyrazole derivative, 3o
CID 135530194
1-[3-(2,4-Dihydroxy-phenyl)-5-m-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135432900
1-[3-(2,4-Dihydroxy-phenyl)-5-p-tolyl-4,5-dihydro-pyrazol-1-yl]-ethanone
CID 135524872
1-[5-(2,4-Dihydroxyphenyl)-3-(3-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 136226203
1-[5-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 136241008
4-(2-Methyl-3-phenyl-3,4-dihydropyrazol-5-yl)benzene-1,3-diol
CID 136233011
[(2,4-Dihydroxyphenyl)methylideneamino]-methylcarbamic acid
CID 136107973
5-(4-Hydroxyphenyl)-3,4-dihydropyrazole-2-carboxylic acid
CID 136383863

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid?
The IUPAC name of 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid (CID 175183824) is 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid.
What is the SMILES notation for 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid?
The canonical SMILES for 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid is CC1CN(C(=O)O)N=C1c1ccc(O)cc1O.
What is the InChIKey of 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid?
The InChIKey is LEBNDTVZHVOXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-6-5-13(11(16)17)12-10(6)8-3-2-7(14)4-9(8)15/h2-4,6,14-15H,5H2,1H3,(H,16,17).
What are the key properties of 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid?
5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dihydroxyphenyl)-4-methyl-3,4-dihydropyrazole-2-carboxylic acid is sourced from PubChem (CID 175183824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).