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

C12H12N2O3 — CID 42281960

IUPAC3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(C)cc2C(=O)O)cc1
InChIInChI=1S/C12H12N2O3/c1-14-7-10(12(15)16)11(13-14)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,15,16)
InChIKeyPARSJMOLPSNMLV-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.79
Rot. Bonds3

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

3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 42281960) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID42281960
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(C)cc2C(=O)O)cc1
InChIInChI=1S/C12H12N2O3/c1-14-7-10(12(15)16)11(13-14)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,15,16)
InChIKeyPARSJMOLPSNMLV-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(4-propan-2-yloxyphenyl)pyrazole-4-carboxylic acid
CID 43324425
3-(4-methoxyphenyl)-1-methylpyrazole-4-carbothioamide
CID 39096392
1-methyl-3-naphthalen-2-ylpyrazole-4-carboxylic acid
CID 43324436
1-methyl-3-(4-methylsulfonylphenyl)pyrazole-4-carboxylic acid
CID 43324444
3-(3-chlorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 43141384
1-methyl-3-(5-methylfuran-2-yl)pyrazole-4-carboxylic acid
CID 43141385
3-[4-(difluoromethoxy)phenyl]-1-ethylpyrazole-4-carboxylic acid
CID 61266470
1-methyl-3-quinolin-7-ylpyrazole-4-carboxylic acid
CID 153386364
3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazole-4-carboxylic acid
CID 19498459
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
3-phenyl-1-propylpyrazole-4-carboxylic acid
CID 61266498

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid (CID 42281960) is 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid is COc1ccc(-c2nn(C)cc2C(=O)O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is PARSJMOLPSNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-14-7-10(12(15)16)11(13-14)8-3-5-9(17-2)6-4-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid?
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 42281960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).