propan-2-yl 1H-indazole-6-carboxylate

C11H12N2O2 — CID 33056357

IUPACpropan-2-yl 1H-indazole-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-7(2)15-11(14)8-3-4-9-6-12-13-10(9)5-8/h3-7H,1-2H3,(H,12,13)
InChIKeyXVBNXMVASCERMS-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.13
Rot. Bonds2

About propan-2-yl 1H-indazole-6-carboxylate

propan-2-yl 1H-indazole-6-carboxylate (PubChem CID 33056357) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is propan-2-yl 1H-indazole-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1H-indazole-6-carboxylate
PubChem CID33056357
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Namepropan-2-yl 1H-indazole-6-carboxylate
SMILESCC(C)OC(=O)c1ccc2cn[nH]c2c1
InChIInChI=1S/C11H12N2O2/c1-7(2)15-11(14)8-3-4-9-6-12-13-10(9)5-8/h3-7H,1-2H3,(H,12,13)
InChIKeyXVBNXMVASCERMS-UHFFFAOYSA-N
XLogP2.13
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1H-indazole-6-carboxylate?
The IUPAC name of propan-2-yl 1H-indazole-6-carboxylate (CID 33056357) is propan-2-yl 1H-indazole-6-carboxylate.
What is the SMILES notation for propan-2-yl 1H-indazole-6-carboxylate?
The canonical SMILES for propan-2-yl 1H-indazole-6-carboxylate is CC(C)OC(=O)c1ccc2cn[nH]c2c1.
What is the InChIKey of propan-2-yl 1H-indazole-6-carboxylate?
The InChIKey is XVBNXMVASCERMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)15-11(14)8-3-4-9-6-12-13-10(9)5-8/h3-7H,1-2H3,(H,12,13).
What are the key properties of propan-2-yl 1H-indazole-6-carboxylate?
propan-2-yl 1H-indazole-6-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1H-indazole-6-carboxylate is sourced from PubChem (CID 33056357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).