1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid

C15H18N2O3 — CID 82626120

IUPAC1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCn1nc(C2(C(=O)O)CCCCC2)c2cc(O)ccc21
InChIInChI=1S/C15H18N2O3/c1-17-12-6-5-10(18)9-11(12)13(16-17)15(14(19)20)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyPXRYPAFMDFULHI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.57
Rot. Bonds2

About 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid

1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 82626120) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid
PubChem CID82626120
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid
SMILESCn1nc(C2(C(=O)O)CCCCC2)c2cc(O)ccc21
InChIInChI=1S/C15H18N2O3/c1-17-12-6-5-10(18)9-11(12)13(16-17)15(14(19)20)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyPXRYPAFMDFULHI-UHFFFAOYSA-N
XLogP2.57
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid (CID 82626120) is 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid is Cn1nc(C2(C(=O)O)CCCCC2)c2cc(O)ccc21.
What is the InChIKey of 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is PXRYPAFMDFULHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17-12-6-5-10(18)9-11(12)13(16-17)15(14(19)20)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid?
1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-1-methylindazol-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82626120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).