3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid

C15H18N2O4 — CID 61264514

IUPAC3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(C(C)C)cc2C(=O)O)c(OC)c1
InChIInChI=1S/C15H18N2O4/c1-9(2)17-8-12(15(18)19)14(16-17)11-6-5-10(20-3)7-13(11)21-4/h5-9H,1-4H3,(H,18,19)
InChIKeyDWHODVYIAUBKJH-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.85
Rot. Bonds5

About 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid

3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid (PubChem CID 61264514) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
PubChem CID61264514
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
SMILESCOc1ccc(-c2nn(C(C)C)cc2C(=O)O)c(OC)c1
InChIInChI=1S/C15H18N2O4/c1-9(2)17-8-12(15(18)19)14(16-17)11-6-5-10(20-3)7-13(11)21-4/h5-9H,1-4H3,(H,18,19)
InChIKeyDWHODVYIAUBKJH-UHFFFAOYSA-N
XLogP2.85
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid (CID 61264514) is 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid is COc1ccc(-c2nn(C(C)C)cc2C(=O)O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
The InChIKey is DWHODVYIAUBKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9(2)17-8-12(15(18)19)14(16-17)11-6-5-10(20-3)7-13(11)21-4/h5-9H,1-4H3,(H,18,19).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid?
3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid is sourced from PubChem (CID 61264514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).