3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid

C8H12N2O3 — CID 83619629

IUPAC3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid
SMILESCCc1nn(C)c(OC)c1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-4-5-6(8(11)12)7(13-3)10(2)9-5/h4H2,1-3H3,(H,11,12)
InChIKeyRAUFVTLPFHJCOI-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.69
Rot. Bonds3

About 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid

3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid (PubChem CID 83619629) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid
PubChem CID83619629
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid
SMILESCCc1nn(C)c(OC)c1C(=O)O
InChIInChI=1S/C8H12N2O3/c1-4-5-6(8(11)12)7(13-3)10(2)9-5/h4H2,1-3H3,(H,11,12)
InChIKeyRAUFVTLPFHJCOI-UHFFFAOYSA-N
XLogP0.69
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid
CID 117124434
5-chloro-3-ethyl-1-(4-methoxyphenyl)pyrazole-4-carboxylic acid
CID 55158417
5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
CID 130628105
3,4-diethyl-1-methylpyrazolo[3,4-b]pyridine-5,6-dicarboxylic acid
CID 67705448
ethyl 4-(5-methoxy-1,3-dimethylpyrazol-4-yl)-4-oxobutanoate
CID 113463499
4-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 58781566
2-ethyl-5-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822737
3-(aminomethyl)-4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 96747459
3-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylsulfamoyl]benzoic acid
CID 136549096
1-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123357
5-ethyl-3-methyltriazole-4-carboxylic acid
CID 84650121
4,6-diethyl-2-methylpyrimidine-5-carboxylic acid
CID 71434909

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid (CID 83619629) is 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid is CCc1nn(C)c(OC)c1C(=O)O.
What is the InChIKey of 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid?
The InChIKey is RAUFVTLPFHJCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-5-6(8(11)12)7(13-3)10(2)9-5/h4H2,1-3H3,(H,11,12).
What are the key properties of 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid?
3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid has a molecular weight of 184.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 83619629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).