3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid

C13H16N2O2 — CID 105491035

IUPAC3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
SMILESCC(C)c1[nH]nc2ccc(CCC(=O)O)cc12
InChIInChI=1S/C13H16N2O2/c1-8(2)13-10-7-9(4-6-12(16)17)3-5-11(10)14-15-13/h3,5,7-8H,4,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOTVWQYMYPMKIAC-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.70
Rot. Bonds4

About 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid

3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid (PubChem CID 105491035) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
PubChem CID105491035
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
SMILESCC(C)c1[nH]nc2ccc(CCC(=O)O)cc12
InChIInChI=1S/C13H16N2O2/c1-8(2)13-10-7-9(4-6-12(16)17)3-5-11(10)14-15-13/h3,5,7-8H,4,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOTVWQYMYPMKIAC-UHFFFAOYSA-N
XLogP2.70
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine
CID 105455752
3,5-di(propan-2-yl)-2H-indazole
CID 58499067
3-(3-methyl-2,1-benzoxazol-5-yl)propanoic acid
CID 105457077
2-(3-propan-2-yl-2H-indazol-6-yl)propanoic acid
CID 105491045
5-butan-2-yl-3-propan-2-yl-2H-indazole
CID 166843518
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
3-(2,4-dimethylquinolin-7-yl)propanoic acid
CID 82577927
3-ethyl-5-propyl-2H-indazole
CID 88974501
3-[4-hydroxy-3-(3-methylbutyl)phenyl]propanoic acid
CID 10799814
3-bromo-5-propyl-2H-indazole
CID 114589273
3-(4-chloro-2-methylquinolin-7-yl)propanoic acid
CID 82578031
3-(3-methyl-1H-indol-6-yl)propanoic acid
CID 117205078

Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid (CID 105491035) is 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid is CC(C)c1[nH]nc2ccc(CCC(=O)O)cc12.
What is the InChIKey of 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid?
The InChIKey is OTVWQYMYPMKIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8(2)13-10-7-9(4-6-12(16)17)3-5-11(10)14-15-13/h3,5,7-8H,4,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid?
3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid is sourced from PubChem (CID 105491035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).