3-ethyl-1-propan-2-ylindazole-6-carboxylic acid

C13H16N2O2 — CID 21183685

IUPAC3-ethyl-1-propan-2-ylindazole-6-carboxylic acid
SMILESCCc1nn(C(C)C)c2cc(C(=O)O)ccc12
InChIInChI=1S/C13H16N2O2/c1-4-11-10-6-5-9(13(16)17)7-12(10)15(14-11)8(2)3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyDPDFVUWCLDYLDW-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.88
Rot. Bonds3

About 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid

3-ethyl-1-propan-2-ylindazole-6-carboxylic acid (PubChem CID 21183685) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylindazole-6-carboxylic acid
PubChem CID21183685
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-ethyl-1-propan-2-ylindazole-6-carboxylic acid
SMILESCCc1nn(C(C)C)c2cc(C(=O)O)ccc12
InChIInChI=1S/C13H16N2O2/c1-4-11-10-6-5-9(13(16)17)7-12(10)15(14-11)8(2)3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyDPDFVUWCLDYLDW-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid?
The IUPAC name of 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid (CID 21183685) is 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid?
The canonical SMILES for 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid is CCc1nn(C(C)C)c2cc(C(=O)O)ccc12.
What is the InChIKey of 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid?
The InChIKey is DPDFVUWCLDYLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-4-11-10-6-5-9(13(16)17)7-12(10)15(14-11)8(2)3/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid?
3-ethyl-1-propan-2-ylindazole-6-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylindazole-6-carboxylic acid is sourced from PubChem (CID 21183685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).