1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid

C12H12N2O3 — CID 22831891

IUPAC1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2C)cc1
InChIInChI=1S/C12H12N2O3/c1-8-7-11(12(15)16)13-14(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,15,16)
InChIKeyAONXPDKLYJASOS-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid

1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 22831891) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID22831891
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2C)cc1
InChIInChI=1S/C12H12N2O3/c1-8-7-11(12(15)16)13-14(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,15,16)
InChIKeyAONXPDKLYJASOS-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid (CID 22831891) is 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is AONXPDKLYJASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-7-11(12(15)16)13-14(8)9-3-5-10(17-2)6-4-9/h3-7H,1-2H3,(H,15,16).
What are the key properties of 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid?
1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 22831891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).