5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid

C13H14N2O3 — CID 82295152

IUPAC5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2[nH]ncc2C(=O)O)c(C)c1C
InChIInChI=1S/C13H14N2O3/c1-7-8(2)11(18-3)5-4-9(7)12-10(13(16)17)6-14-15-12/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeySPTITTFEUCLWDK-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.40
Rot. Bonds3

About 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid

5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid (PubChem CID 82295152) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
PubChem CID82295152
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2[nH]ncc2C(=O)O)c(C)c1C
InChIInChI=1S/C13H14N2O3/c1-7-8(2)11(18-3)5-4-9(7)12-10(13(16)17)6-14-15-12/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeySPTITTFEUCLWDK-UHFFFAOYSA-N
XLogP2.40
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986188
2-(4-methoxy-2,3-dimethylphenyl)-1,3-oxazole-4-carboxylic acid
CID 82479704
5-(5-methoxy-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986326
5-(4-methoxy-1H-indol-2-yl)-1H-pyrazole-4-carboxylic acid
CID 136986503
5-(2-fluoro-3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CID 83810699
5-(2,3,4-trifluorophenyl)-1H-pyrazole-4-carboxylic acid
CID 83810704
5-(6-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986210
5-(2-bromophenyl)-1H-pyrazole-4-carboxylic acid
CID 22831680
5-(2,4-dimethoxy-3-methylphenyl)-1H-imidazole-2-carboxylic acid
CID 116878527
4-bromo-5-(4-methoxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 116858082
4-(2,4-dimethoxy-3-methylphenyl)thiophene-3-carboxylic acid
CID 98021685
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 115109119

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid (CID 82295152) is 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid is COc1ccc(-c2[nH]ncc2C(=O)O)c(C)c1C.
What is the InChIKey of 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is SPTITTFEUCLWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-7-8(2)11(18-3)5-4-9(7)12-10(13(16)17)6-14-15-12/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid?
5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2,3-dimethylphenyl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 82295152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).