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

C15H14N2O4 — CID 82361635

IUPAC1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
SMILESCC(C)=Cc1c(C(=O)O)cnn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c1-9(2)7-13-12(15(20)21)8-16-17(13)11-5-3-10(4-6-11)14(18)19/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXMOIHZFWGQLBRL-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.69
Rot. Bonds4

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

1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid (PubChem CID 82361635) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
PubChem CID82361635
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
SMILESCC(C)=Cc1c(C(=O)O)cnn1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H14N2O4/c1-9(2)7-13-12(15(20)21)8-16-17(13)11-5-3-10(4-6-11)14(18)19/h3-8H,1-2H3,(H,18,19)(H,20,21)
InChIKeyXMOIHZFWGQLBRL-UHFFFAOYSA-N
XLogP2.69
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(3,5-dimethylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361629
1-(3-hydroxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361608
5-(2-methylprop-1-enyl)-1-(3-methylsulfanylphenyl)pyrazole-4-carboxylic acid
CID 82361642
1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361615
1-(4-tert-butylphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82089556
1-(4-carbamoylphenyl)-5-ethylpyrazole-4-carboxylic acid
CID 82361138
4-(5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)benzoic acid
CID 105485455
5-amino-1-(4-tert-butylphenyl)pyrazole-4-carboxylic acid
CID 82089868
4-(5-methylpyrazol-1-yl)benzoic acid
CID 4962781
1-[4-(carboxymethyl)phenyl]-5-methylpyrazole-4-carboxylic acid
CID 82361094

Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid (CID 82361635) is 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid is CC(C)=Cc1c(C(=O)O)cnn1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
The InChIKey is XMOIHZFWGQLBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(2)7-13-12(15(20)21)8-16-17(13)11-5-3-10(4-6-11)14(18)19/h3-8H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid?
1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxyphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82361635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).