2-(2-phenylethyl)indazole-6-carboxylic acid

C16H14N2O2 — CID 176884936

IUPAC2-(2-phenylethyl)indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2cn(CCc3ccccc3)nc2c1
InChIInChI=1S/C16H14N2O2/c19-16(20)13-6-7-14-11-18(17-15(14)10-13)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)
InChIKeyXKWYVTSNADYFHX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-phenylethyl)indazole-6-carboxylic acid

2-(2-phenylethyl)indazole-6-carboxylic acid (PubChem CID 176884936) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-phenylethyl)indazole-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-phenylethyl)indazole-6-carboxylic acid
PubChem CID176884936
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(2-phenylethyl)indazole-6-carboxylic acid
SMILESO=C(O)c1ccc2cn(CCc3ccccc3)nc2c1
InChIInChI=1S/C16H14N2O2/c19-16(20)13-6-7-14-11-18(17-15(14)10-13)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20)
InChIKeyXKWYVTSNADYFHX-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylethyl)indazole-5-carboxylic acid
CID 169188070
N-hydroxy-2-(2-phenylethyl)indazole-6-carboxamide
CID 169188075
methyl 2-(3-phenylpropyl)indazole-6-carboxylate
CID 24953212
2-(3-hydroxy-3-methylbutyl)indazole-6-carboxylic acid
CID 150709122
2-[(4-chlorophenyl)methyl]indazole-6-carboxylic acid
CID 176884945
3-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 82791472
N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
CID 24760691
N-[2-(dimethylamino)ethyl]-2-(3,3-diphenylpropyl)indazole-6-carboxamide
CID 24953915
2-benzyl-5-fluoroindazole-6-carboxylic acid
CID 169188080
5-nitro-2-(4-phenylbutyl)indazole
CID 66776382
3-methyl-2-oxo-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 50958155
2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid
CID 142706844

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)indazole-6-carboxylic acid?
The IUPAC name of 2-(2-phenylethyl)indazole-6-carboxylic acid (CID 176884936) is 2-(2-phenylethyl)indazole-6-carboxylic acid.
What is the SMILES notation for 2-(2-phenylethyl)indazole-6-carboxylic acid?
The canonical SMILES for 2-(2-phenylethyl)indazole-6-carboxylic acid is O=C(O)c1ccc2cn(CCc3ccccc3)nc2c1.
What is the InChIKey of 2-(2-phenylethyl)indazole-6-carboxylic acid?
The InChIKey is XKWYVTSNADYFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16(20)13-6-7-14-11-18(17-15(14)10-13)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,19,20).
What are the key properties of 2-(2-phenylethyl)indazole-6-carboxylic acid?
2-(2-phenylethyl)indazole-6-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)indazole-6-carboxylic acid is sourced from PubChem (CID 176884936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).