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

C7H10N2O2 — CID 14277916

IUPAC3-ethyl-1-methylpyrazole-4-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)O
InChIInChI=1S/C7H10N2O2/c1-3-6-5(7(10)11)4-9(2)8-6/h4H,3H2,1-2H3,(H,10,11)
InChIKeyBOQSSGWSBMZZBI-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.68
Rot. Bonds2

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

3-ethyl-1-methylpyrazole-4-carboxylic acid (PubChem CID 14277916) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-ethyl-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-methylpyrazole-4-carboxylic acid
PubChem CID14277916
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-ethyl-1-methylpyrazole-4-carboxylic acid
SMILESCCc1nn(C)cc1C(=O)O
InChIInChI=1S/C7H10N2O2/c1-3-6-5(7(10)11)4-9(2)8-6/h4H,3H2,1-2H3,(H,10,11)
InChIKeyBOQSSGWSBMZZBI-UHFFFAOYSA-N
XLogP0.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-ethyl-1-methylpyrazole-4-carboxylic acid (CID 14277916) is 3-ethyl-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-ethyl-1-methylpyrazole-4-carboxylic acid is CCc1nn(C)cc1C(=O)O.
What is the InChIKey of 3-ethyl-1-methylpyrazole-4-carboxylic acid?
The InChIKey is BOQSSGWSBMZZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-6-5(7(10)11)4-9(2)8-6/h4H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-ethyl-1-methylpyrazole-4-carboxylic acid?
3-ethyl-1-methylpyrazole-4-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 14277916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).