1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid

C15H16N2O3 — CID 82361615

IUPAC1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
SMILESCC(C)=Cc1c(C(=O)O)cnn1-c1ccc(O)cc1C
InChIInChI=1S/C15H16N2O3/c1-9(2)6-14-12(15(19)20)8-16-17(14)13-5-4-11(18)7-10(13)3/h4-8,18H,1-3H3,(H,19,20)
InChIKeyVWFMDCISMITBNJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.01
Rot. Bonds3

About 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid

1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid (PubChem CID 82361615) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
PubChem CID82361615
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
SMILESCC(C)=Cc1c(C(=O)O)cnn1-c1ccc(O)cc1C
InChIInChI=1S/C15H16N2O3/c1-9(2)6-14-12(15(19)20)8-16-17(14)13-5-4-11(18)7-10(13)3/h4-8,18H,1-3H3,(H,19,20)
InChIKeyVWFMDCISMITBNJ-UHFFFAOYSA-N
XLogP3.01
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361608
1-(3,5-dimethylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361629
1-(4-hydroxy-2-methylphenyl)-5-(methoxymethyl)pyrazole-4-carboxylic acid
CID 82361555
1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361635
1-(4-fluorophenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361611
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361607
5-(2-methylprop-1-enyl)-1-(3-methylsulfanylphenyl)pyrazole-4-carboxylic acid
CID 82361642
2-(3,5-dimethylpyrazol-1-yl)-5-hydroxybenzoic acid
CID 84695435
1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
CID 43381602
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861
6-formyl-1-(4-hydroxy-2-methylphenyl)-4-oxopyridine-3-carboxylic acid
CID 14010769
2-ethyl-1-(4-hydroxy-2-methylphenyl)pyrrole-3-carboxylic acid
CID 82362615

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid (CID 82361615) is 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid is CC(C)=Cc1c(C(=O)O)cnn1-c1ccc(O)cc1C.
What is the InChIKey of 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The InChIKey is VWFMDCISMITBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9(2)6-14-12(15(19)20)8-16-17(14)13-5-4-11(18)7-10(13)3/h4-8,18H,1-3H3,(H,19,20).
What are the key properties of 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).