1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid

C14H14N2O3 — CID 82361608

IUPAC1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
SMILESCC(C)=Cc1c(C(=O)O)cnn1-c1cccc(O)c1
InChIInChI=1S/C14H14N2O3/c1-9(2)6-13-12(14(18)19)8-15-16(13)10-4-3-5-11(17)7-10/h3-8,17H,1-2H3,(H,18,19)
InChIKeyQHWUPHVPROOOJH-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.70
Rot. Bonds3

About 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid

1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid (PubChem CID 82361608) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
PubChem CID82361608
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
SMILESCC(C)=Cc1c(C(=O)O)cnn1-c1cccc(O)c1
InChIInChI=1S/C14H14N2O3/c1-9(2)6-13-12(14(18)19)8-15-16(13)10-4-3-5-11(17)7-10/h3-8,17H,1-2H3,(H,18,19)
InChIKeyQHWUPHVPROOOJH-UHFFFAOYSA-N
XLogP2.70
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylprop-1-enyl)-1-(3-methylsulfanylphenyl)pyrazole-4-carboxylic acid
CID 82361642
1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361635
1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361615
1-(4-fluorophenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361611
1-(3,5-dimethylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361629
1-(4-methoxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361607
1-[5-chloro-1-(3-hydroxyphenyl)pyrazol-4-yl]ethanone
CID 115041852
1-(3-acetylphenyl)-5-aminopyrazole-4-carboxylic acid
CID 82365360
1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 115069036
5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole-4-carboxylic acid
CID 114797921
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
1-(3-hydroxyphenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
CID 115031139

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid (CID 82361608) is 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid is CC(C)=Cc1c(C(=O)O)cnn1-c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The InChIKey is QHWUPHVPROOOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(2)6-13-12(14(18)19)8-15-16(13)10-4-3-5-11(17)7-10/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).