2-ethyl-3-methylindazole-4-carboxylic acid

C11H12N2O2 — CID 84721848

IUPAC2-ethyl-3-methylindazole-4-carboxylic acid
SMILESCCn1nc2cccc(C(=O)O)c2c1C
InChIInChI=1S/C11H12N2O2/c1-3-13-7(2)10-8(11(14)15)5-4-6-9(10)12-13/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyPNXNQRZWLZTAES-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.06
Rot. Bonds2

About 2-ethyl-3-methylindazole-4-carboxylic acid

2-ethyl-3-methylindazole-4-carboxylic acid (PubChem CID 84721848) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-ethyl-3-methylindazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-methylindazole-4-carboxylic acid
PubChem CID84721848
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-ethyl-3-methylindazole-4-carboxylic acid
SMILESCCn1nc2cccc(C(=O)O)c2c1C
InChIInChI=1S/C11H12N2O2/c1-3-13-7(2)10-8(11(14)15)5-4-6-9(10)12-13/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyPNXNQRZWLZTAES-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-methylindazole-7-carboxylic acid
CID 84721863
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzoic acid
CID 63804633
2-(2-ethyl-3-methylindazol-4-yl)ethanamine
CID 84721665
2-(4-fluoro-3-methylindazol-2-yl)acetic acid
CID 84722585
3-(3,4-dimethylindazol-2-yl)-2-methylpropanoic acid
CID 84726640
4-bromo-1-ethyl-5-methylpyrazole-3-carboxylic acid
CID 116858299
3-butyl-1-ethyl-2-methylindole-4-carboxylic acid
CID 83963981
3-(2,3-dimethylbutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 112577342
3-propylbenzimidazole-4-carboxylic acid
CID 82647147
3-propylbenzotriazole-4-carboxylic acid
CID 112576582
1-ethyl-4,5-dimethylpyrazole-3-carboxylic acid
CID 89432142
3-[(1-ethyl-5-methylpyrazol-4-yl)methylamino]-2-methylbenzoic acid
CID 19624663

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylindazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-methylindazole-4-carboxylic acid (CID 84721848) is 2-ethyl-3-methylindazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-methylindazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-methylindazole-4-carboxylic acid is CCn1nc2cccc(C(=O)O)c2c1C.
What is the InChIKey of 2-ethyl-3-methylindazole-4-carboxylic acid?
The InChIKey is PNXNQRZWLZTAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-13-7(2)10-8(11(14)15)5-4-6-9(10)12-13/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-ethyl-3-methylindazole-4-carboxylic acid?
2-ethyl-3-methylindazole-4-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylindazole-4-carboxylic acid is sourced from PubChem (CID 84721848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).