3-(3-ethyl-1-methylindazol-5-yl)propanoic acid

C13H16N2O2 — CID 105491060

IUPAC3-(3-ethyl-1-methylindazol-5-yl)propanoic acid
SMILESCCc1nn(C)c2ccc(CCC(=O)O)cc12
InChIInChI=1S/C13H16N2O2/c1-3-11-10-8-9(5-7-13(16)17)4-6-12(10)15(2)14-11/h4,6,8H,3,5,7H2,1-2H3,(H,16,17)
InChIKeySFPZRIRPWZQSSR-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.15
Rot. Bonds4

About 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid

3-(3-ethyl-1-methylindazol-5-yl)propanoic acid (PubChem CID 105491060) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-1-methylindazol-5-yl)propanoic acid
PubChem CID105491060
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(3-ethyl-1-methylindazol-5-yl)propanoic acid
SMILESCCc1nn(C)c2ccc(CCC(=O)O)cc12
InChIInChI=1S/C13H16N2O2/c1-3-11-10-8-9(5-7-13(16)17)4-6-12(10)15(2)14-11/h4,6,8H,3,5,7H2,1-2H3,(H,16,17)
InChIKeySFPZRIRPWZQSSR-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-[2-(3-ethyl-1-methylindazol-5-yl)ethyl]propane-1,3-diol
CID 58709706
3-ethyl-1-methylindazole-5-carboxamide
CID 171772893
3-ethyl-1-methylindazol-5-amine
CID 68609782
3-(1,6-dimethylindazol-3-yl)propanoic acid
CID 83910195
3-(3-ethyl-1,2-benzoxazol-6-yl)propanoic acid
CID 105473714
4-(1,3-dimethylindazol-6-yl)butanoic acid
CID 117336304
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
3-(7-hydroxy-1-methylindazol-3-yl)propanoic acid
CID 84685431
5-(aminomethyl)-1-methylindazole-3-carboxylic acid
CID 84778324
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765
1-(1-methylindazol-3-yl)-4-pyridin-4-ylbutan-2-one
CID 105111013

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid (CID 105491060) is 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid is CCc1nn(C)c2ccc(CCC(=O)O)cc12.
What is the InChIKey of 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid?
The InChIKey is SFPZRIRPWZQSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-11-10-8-9(5-7-13(16)17)4-6-12(10)15(2)14-11/h4,6,8H,3,5,7H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid?
3-(3-ethyl-1-methylindazol-5-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-1-methylindazol-5-yl)propanoic acid is sourced from PubChem (CID 105491060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).