3-indazol-1-yl-2-methylpropanoic acid

C11H12N2O2 — CID 62141869

IUPAC3-indazol-1-yl-2-methylpropanoic acid
SMILESCC(Cn1ncc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O2/c1-8(11(14)15)7-13-10-5-3-2-4-9(10)6-12-13/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyYQPIEGXNDOSVOM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.76
Rot. Bonds3

About 3-indazol-1-yl-2-methylpropanoic acid

3-indazol-1-yl-2-methylpropanoic acid (PubChem CID 62141869) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-indazol-1-yl-2-methylpropanoic acid.

Molecular Properties

Compound Name3-indazol-1-yl-2-methylpropanoic acid
PubChem CID62141869
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-indazol-1-yl-2-methylpropanoic acid
SMILESCC(Cn1ncc2ccccc21)C(=O)O
InChIInChI=1S/C11H12N2O2/c1-8(11(14)15)7-13-10-5-3-2-4-9(10)6-12-13/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyYQPIEGXNDOSVOM-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-indazole
CID 797066
(3-methyl-1H-indazol-1-yl)acetic acid
CID 3237757
1-Methyl-1H-indazole
CID 139456
2-(2H-indazol-2-yl)acetic acid
CID 12252435
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852
2-(3-phenyl-1H-indazol-1-yl)propanoic acid
CID 20888249
2-(6-Chloroindazol-1-yl)acetic acid
CID 13337779
3-(1H-indazol-1-yl)propanoic acid
CID 805922
3-(1H-indazol-1-yl)propanenitrile
CID 3244150
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
ethyl 2-(1H-indazol-1-yl)acetate
CID 62140546
1H-Indazol-1-ylacetic acid
CID 6422830

Frequently Asked Questions

What is the IUPAC name of 3-indazol-1-yl-2-methylpropanoic acid?
The IUPAC name of 3-indazol-1-yl-2-methylpropanoic acid (CID 62141869) is 3-indazol-1-yl-2-methylpropanoic acid.
What is the SMILES notation for 3-indazol-1-yl-2-methylpropanoic acid?
The canonical SMILES for 3-indazol-1-yl-2-methylpropanoic acid is CC(Cn1ncc2ccccc21)C(=O)O.
What is the InChIKey of 3-indazol-1-yl-2-methylpropanoic acid?
The InChIKey is YQPIEGXNDOSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8(11(14)15)7-13-10-5-3-2-4-9(10)6-12-13/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 3-indazol-1-yl-2-methylpropanoic acid?
3-indazol-1-yl-2-methylpropanoic acid has a molecular weight of 204.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indazol-1-yl-2-methylpropanoic acid is sourced from PubChem (CID 62141869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).