tert-butyl 5-hydroxyindazole-1-carboxylate

C12H14N2O3 — CID 118798018

IUPACtert-butyl 5-hydroxyindazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ncc2cc(O)ccc21
InChIInChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14/h4-7,15H,1-3H3
InChIKeyRUVAJUODOYPQDW-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.53
Rot. Bonds

About tert-butyl 5-hydroxyindazole-1-carboxylate

tert-butyl 5-hydroxyindazole-1-carboxylate (PubChem CID 118798018) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is tert-butyl 5-hydroxyindazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-hydroxyindazole-1-carboxylate
PubChem CID118798018
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nametert-butyl 5-hydroxyindazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ncc2cc(O)ccc21
InChIInChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14/h4-7,15H,1-3H3
InChIKeyRUVAJUODOYPQDW-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-nitroindazole-1-carboxylate
CID 11499917
tert-butyl 5-(pyrimidin-2-yloxymethyl)indazole-1-carboxylate
CID 53418182
tert-butyl 5-(2-aminopyrimidin-4-yl)indazole-1-carboxylate
CID 172532327
tert-butyl 5-hydroxyindole-1-carboxylate
CID 22596220
tert-butyl 5-chlorosulfonylpyrazolo[3,4-c]pyridine-1-carboxylate
CID 177099779
tert-butyl 5-[(2S)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]indazole-1-carboxylate
CID 166810327
tert-butyl 5-[[(3S)-piperidin-3-yl]amino]indazole-1-carboxylate
CID 97056352
tert-butyl 6-bromo-5-(3,3-dimethylbutanoylamino)indazole-1-carboxylate
CID 122650629
tert-butyl 6-(trifluoromethylsulfonyloxy)indazole-1-carboxylate
CID 54533813
tert-butyl 5-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)indazole-1-carboxylate
CID 168585602
5-bromo-1H-isoindole;tert-butyl 5-bromoindazole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 158253903
acetic acid;tert-butyl 5-hydroxy-2-methylindole-1-carboxylate
CID 18914660

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxyindazole-1-carboxylate?
The IUPAC name of tert-butyl 5-hydroxyindazole-1-carboxylate (CID 118798018) is tert-butyl 5-hydroxyindazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-hydroxyindazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-hydroxyindazole-1-carboxylate is CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.
What is the InChIKey of tert-butyl 5-hydroxyindazole-1-carboxylate?
The InChIKey is RUVAJUODOYPQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14/h4-7,15H,1-3H3.
What are the key properties of tert-butyl 5-hydroxyindazole-1-carboxylate?
tert-butyl 5-hydroxyindazole-1-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-hydroxyindazole-1-carboxylate is sourced from PubChem (CID 118798018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).