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

C11H16N2O2 — CID 105461888

IUPAC5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)nn(C)c1C1CCC1
InChIInChI=1S/C11H16N2O2/c1-3-8-9(11(14)15)12-13(2)10(8)7-5-4-6-7/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyVJQDOAAQHRKZDO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.95
Rot. Bonds3

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

5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid (PubChem CID 105461888) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid
PubChem CID105461888
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid
SMILESCCc1c(C(=O)O)nn(C)c1C1CCC1
InChIInChI=1S/C11H16N2O2/c1-3-8-9(11(14)15)12-13(2)10(8)7-5-4-6-7/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyVJQDOAAQHRKZDO-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid (CID 105461888) is 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid is CCc1c(C(=O)O)nn(C)c1C1CCC1.
What is the InChIKey of 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid?
The InChIKey is VJQDOAAQHRKZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8-9(11(14)15)12-13(2)10(8)7-5-4-6-7/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid?
5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid has a molecular weight of 208.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-ethyl-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 105461888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).