ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate

C11H16N2O3 — CID 66022357

IUPACethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C11H16N2O3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12-13/h12H,2-7H2,1H3
InChIKeyDTEATASGGGYHSE-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.62
Rot. Bonds3

About ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate

ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate (PubChem CID 66022357) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate
PubChem CID66022357
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate
SMILESCCOC(=O)Cn1[nH]c2c(c1=O)CCCC2
InChIInChI=1S/C11H16N2O3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12-13/h12H,2-7H2,1H3
InChIKeyDTEATASGGGYHSE-UHFFFAOYSA-N
XLogP0.62
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate with MolForge

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Related Compounds

tert-butyl 2-(2-ethyl-3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetate
CID 71186831
tert-butyl 2-(3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetate
CID 71187040
2-(3-oxo-2,3,4,5,6,7-hexahydro-1H-indazol-1-yl)acetic acid
CID 86719771
Tert-butyl 2-(2-ethyl-3-oxo-4,5,6,7-tetrahydroindazol-1-yl)acetate;ethane
CID 144505592
tert-butyl 2-(3-oxo-4,5,6,7-tetrahydro-2H-indazol-1-yl)acetate;ethane
CID 144505809
2-(2-hydroxyethyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one
CID 1480738
ethyl 2-(4-ethyl-5-methyl-3-oxo-1H-pyrazol-2-yl)acetate
CID 66022356
Ethyl 2-(3-oxo-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl)acetate
CID 66022359
Ethyl 2-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)acetate
CID 66022560
2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetic acid
CID 66023178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate?
The IUPAC name of ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate (CID 66022357) is ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate.
What is the SMILES notation for ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate?
The canonical SMILES for ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate is CCOC(=O)Cn1[nH]c2c(c1=O)CCCC2.
What is the InChIKey of ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate?
The InChIKey is DTEATASGGGYHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12-13/h12H,2-7H2,1H3.
What are the key properties of ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate?
ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate has a molecular weight of 224.26 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-oxo-4,5,6,7-tetrahydro-1H-indazol-2-yl)acetate is sourced from PubChem (CID 66022357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).