1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid

C14H16N2O3 — CID 82623856

IUPAC1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2[nH]nc3ccc(O)cc23)CCCCC1
InChIInChI=1S/C14H16N2O3/c17-9-4-5-11-10(8-9)12(16-15-11)14(13(18)19)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7H2,(H,15,16)(H,18,19)
InChIKeyHXHDOCCDASTTGB-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.56
Rot. Bonds2

About 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid

1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 82623856) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID82623856
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2[nH]nc3ccc(O)cc23)CCCCC1
InChIInChI=1S/C14H16N2O3/c17-9-4-5-11-10(8-9)12(16-15-11)14(13(18)19)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7H2,(H,15,16)(H,18,19)
InChIKeyHXHDOCCDASTTGB-UHFFFAOYSA-N
XLogP2.56
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid (CID 82623856) is 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2[nH]nc3ccc(O)cc23)CCCCC1.
What is the InChIKey of 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is HXHDOCCDASTTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-9-4-5-11-10(8-9)12(16-15-11)14(13(18)19)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7H2,(H,15,16)(H,18,19).
What are the key properties of 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid?
1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2H-indazol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82623856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).