1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid

C13H14N2O4 — CID 138754350

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid
SMILESCC(C)(C)OC(=O)n1ncc2cccc(C(=O)O)c21
InChIInChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)15-10-8(7-14-15)5-4-6-9(10)11(16)17/h4-7H,1-3H3,(H,16,17)
InChIKeyRQDHCEMJDABPOU-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.52
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid (PubChem CID 138754350) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid
PubChem CID138754350
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid
SMILESCC(C)(C)OC(=O)n1ncc2cccc(C(=O)O)c21
InChIInChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)15-10-8(7-14-15)5-4-6-9(10)11(16)17/h4-7H,1-3H3,(H,16,17)
InChIKeyRQDHCEMJDABPOU-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-hydroxyindazole-1-carboxylate
CID 118798018
tert-butyl 6-(trifluoromethylsulfonyloxy)indazole-1-carboxylate
CID 54533813
tert-butyl 5-ethynyl-7-fluoroindazole-1-carboxylate
CID 162683417
tert-butyl 4-cyanoindazole-1-carboxylate
CID 67235988
2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid
CID 57415656
tert-butyl 4-bromo-5-(trifluoromethyl)pyrazole-1-carboxylate
CID 59023088
tert-butyl 5-nitroindazole-1-carboxylate
CID 11499917
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indole-7-carboxylic acid
CID 70163739
2-fluoro-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 66765352
tert-butyl 5-(pyrimidin-2-yloxymethyl)indazole-1-carboxylate
CID 53418182
ethane;[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-7-yl]boronic acid
CID 91274571
2-[2-carboxy-6-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]peroxybenzene-1,3-dicarboxylic acid
CID 54118881

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid (CID 138754350) is 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid is CC(C)(C)OC(=O)n1ncc2cccc(C(=O)O)c21.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid?
The InChIKey is RQDHCEMJDABPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-13(2,3)19-12(18)15-10-8(7-14-15)5-4-6-9(10)11(16)17/h4-7H,1-3H3,(H,16,17).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]indazole-7-carboxylic acid is sourced from PubChem (CID 138754350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).