ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate

C16H21N3O4 — CID 118182502

IUPACethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
SMILESCCOC(=O)Cn1cc2cc(NC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C16H21N3O4/c1-5-22-14(20)10-19-9-11-8-12(6-7-13(11)18-19)17-15(21)23-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,21)
InChIKeyHFWFKJUZIDAMGS-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.95
Rot. Bonds4

About ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate

ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate (PubChem CID 118182502) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
PubChem CID118182502
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nameethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate
SMILESCCOC(=O)Cn1cc2cc(NC(=O)OC(C)(C)C)ccc2n1
InChIInChI=1S/C16H21N3O4/c1-5-22-14(20)10-19-9-11-8-12(6-7-13(11)18-19)17-15(21)23-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,21)
InChIKeyHFWFKJUZIDAMGS-UHFFFAOYSA-N
XLogP2.95
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate (CID 118182502) is ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate is CCOC(=O)Cn1cc2cc(NC(=O)OC(C)(C)C)ccc2n1.
What is the InChIKey of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate?
The InChIKey is HFWFKJUZIDAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-5-22-14(20)10-19-9-11-8-12(6-7-13(11)18-19)17-15(21)23-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,17,21).
What are the key properties of ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate?
ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate has a molecular weight of 319.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-2-yl]acetate is sourced from PubChem (CID 118182502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).