ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate

C15H18N2O4 — CID 66920492

IUPACethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate
SMILESCCOC(=O)c1cc(O)c2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C15H18N2O4/c1-2-20-15(19)10-7-11-9-16-17(14(11)12(18)8-10)13-5-3-4-6-21-13/h7-9,13,18H,2-6H2,1H3
InChIKeyVORDQTLCWUKJBM-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.62
Rot. Bonds3

About ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate

ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate (PubChem CID 66920492) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate
PubChem CID66920492
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate
SMILESCCOC(=O)c1cc(O)c2c(cnn2C2CCCCO2)c1
InChIInChI=1S/C15H18N2O4/c1-2-20-15(19)10-7-11-9-16-17(14(11)12(18)8-10)13-5-3-4-6-21-13/h7-9,13,18H,2-6H2,1H3
InChIKeyVORDQTLCWUKJBM-UHFFFAOYSA-N
XLogP2.62
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate?
The IUPAC name of ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate (CID 66920492) is ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate is CCOC(=O)c1cc(O)c2c(cnn2C2CCCCO2)c1.
What is the InChIKey of ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate?
The InChIKey is VORDQTLCWUKJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-20-15(19)10-7-11-9-16-17(14(11)12(18)8-10)13-5-3-4-6-21-13/h7-9,13,18H,2-6H2,1H3.
What are the key properties of ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate?
ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-1-(oxan-2-yl)indazole-5-carboxylate is sourced from PubChem (CID 66920492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).