2-(1-ethylindazol-5-yl)propanoic acid

C12H14N2O2 — CID 84724339

IUPAC2-(1-ethylindazol-5-yl)propanoic acid
SMILESCCn1ncc2cc(C(C)C(=O)O)ccc21
InChIInChI=1S/C12H14N2O2/c1-3-14-11-5-4-9(8(2)12(15)16)6-10(11)7-13-14/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyUPXBJAFKXBUGNQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.24
Rot. Bonds3

About 2-(1-ethylindazol-5-yl)propanoic acid

2-(1-ethylindazol-5-yl)propanoic acid (PubChem CID 84724339) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1-ethylindazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-ethylindazol-5-yl)propanoic acid
PubChem CID84724339
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(1-ethylindazol-5-yl)propanoic acid
SMILESCCn1ncc2cc(C(C)C(=O)O)ccc21
InChIInChI=1S/C12H14N2O2/c1-3-14-11-5-4-9(8(2)12(15)16)6-10(11)7-13-14/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyUPXBJAFKXBUGNQ-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylindazol-5-yl)-N-methylethanamine
CID 84721771
1-ethyl-5-iodoindazole
CID 175216814
2-phthalazin-6-ylpropanoic acid
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2-(4-ethylisoquinolin-7-yl)propanoic acid
CID 117330544
(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
CID 149459018
potassium (1-ethylindazol-5-yl)-trifluoroboranuide
CID 166000493
2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid
CID 105464288
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
1-(1-ethylindazol-5-yl)pyrrolidin-3-ol
CID 175779535
1-ethylindazole;propane
CID 143188130
1-(1-ethylindazol-5-yl)-3-methylthiourea
CID 119082148
2-(5-ethoxycarbonylindazol-1-yl)acetic acid
CID 18388152

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylindazol-5-yl)propanoic acid?
The IUPAC name of 2-(1-ethylindazol-5-yl)propanoic acid (CID 84724339) is 2-(1-ethylindazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(1-ethylindazol-5-yl)propanoic acid?
The canonical SMILES for 2-(1-ethylindazol-5-yl)propanoic acid is CCn1ncc2cc(C(C)C(=O)O)ccc21.
What is the InChIKey of 2-(1-ethylindazol-5-yl)propanoic acid?
The InChIKey is UPXBJAFKXBUGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-14-11-5-4-9(8(2)12(15)16)6-10(11)7-13-14/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 2-(1-ethylindazol-5-yl)propanoic acid?
2-(1-ethylindazol-5-yl)propanoic acid has a molecular weight of 218.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylindazol-5-yl)propanoic acid is sourced from PubChem (CID 84724339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).