1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid

C16H14N2O3 — CID 56717092

IUPAC1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid
SMILESCC(O)c1ccc(-n2nc(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O3/c1-10(19)11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)15(17-18)16(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyGXXQYBKZVIZVME-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.78
Rot. Bonds3

About 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid

1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid (PubChem CID 56717092) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid
PubChem CID56717092
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid
SMILESCC(O)c1ccc(-n2nc(C(=O)O)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O3/c1-10(19)11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)15(17-18)16(20)21/h2-10,19H,1H3,(H,20,21)
InChIKeyGXXQYBKZVIZVME-UHFFFAOYSA-N
XLogP2.78
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-phenylindazole-3-carboxylic acid
CID 139220428
(E)-but-2-enedioic acid;1-propan-2-ylindazole-3-carboxylic acid
CID 162310578
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
1-prop-1-ynylindazole-3-carboxylic acid
CID 21478807
1-(2-propan-2-ylsulfonylethyl)indazole-3-carboxylic acid
CID 106726410
4-(3-cyanoindazol-1-yl)benzoic acid
CID 16678790
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169748
1-(1,3-benzodioxol-5-yl)-4-oxocinnoline-3-carboxylic acid
CID 71821437
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazole-3-carboxylic acid
CID 64771668
5,5-dioxo-1-(4-propan-2-ylphenyl)-4H-thiochromeno[3,4-d]pyrazole-3-carboxylic acid
CID 66577759
1-(2-methylprop-2-enyl)indazole-3-carboxylic acid
CID 18695551
1-pyrrolidin-1-ylindazole-3-carboxylic acid
CID 71259520

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid?
The IUPAC name of 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid (CID 56717092) is 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid.
What is the SMILES notation for 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid?
The canonical SMILES for 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid is CC(O)c1ccc(-n2nc(C(=O)O)c3ccccc32)cc1.
What is the InChIKey of 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid?
The InChIKey is GXXQYBKZVIZVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-10(19)11-6-8-12(9-7-11)18-14-5-3-2-4-13(14)15(17-18)16(20)21/h2-10,19H,1H3,(H,20,21).
What are the key properties of 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid?
1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxyethyl)phenyl]indazole-3-carboxylic acid is sourced from PubChem (CID 56717092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).