4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid

C13H14N2O4 — CID 122558064

IUPAC4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cccc(-c2cnn(C)c2C(=O)O)c1OC
InChIInChI=1S/C13H14N2O4/c1-15-11(13(16)17)9(7-14-15)8-5-4-6-10(18-2)12(8)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyDFKBTXRZGHYIOJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.80
Rot. Bonds4

About 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid

4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 122558064) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID122558064
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cccc(-c2cnn(C)c2C(=O)O)c1OC
InChIInChI=1S/C13H14N2O4/c1-15-11(13(16)17)9(7-14-15)8-5-4-6-10(18-2)12(8)19-3/h4-7H,1-3H3,(H,16,17)
InChIKeyDFKBTXRZGHYIOJ-UHFFFAOYSA-N
XLogP1.80
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
4-(2,3-dimethoxyphenyl)-1-ethyl-5-methylpyrazole
CID 162634053
(4-bromo-1-methylpyrazol-5-yl)-(2,6-dimethoxyphenyl)methanone
CID 115814986
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid
CID 23057240
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2R)-2-amino-1-(4-methoxy-1-methylpyrazol-5-yl)-2-phenylethanone
CID 104940695
5-(2-hydroxy-3-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136998005
4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 90383281
4-(4-tert-butylphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82372837
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
methyl 4-methoxy-1-methylpyrazole-5-carboxylate
CID 106942430

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid (CID 122558064) is 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid is COc1cccc(-c2cnn(C)c2C(=O)O)c1OC.
What is the InChIKey of 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is DFKBTXRZGHYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-11(13(16)17)9(7-14-15)8-5-4-6-10(18-2)12(8)19-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid?
4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 122558064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).