ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate

C13H20N2O2 — CID 67587665

IUPACethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate
SMILESCCOC(=O)CC1CCCc2c1cnn2CC
InChIInChI=1S/C13H20N2O2/c1-3-15-12-7-5-6-10(11(12)9-14-15)8-13(16)17-4-2/h9-10H,3-8H2,1-2H3
InChIKeyCULPFFMTKWFMNJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.28
Rot. Bonds4

About ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate

ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate (PubChem CID 67587665) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate
PubChem CID67587665
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate
SMILESCCOC(=O)CC1CCCc2c1cnn2CC
InChIInChI=1S/C13H20N2O2/c1-3-15-12-7-5-6-10(11(12)9-14-15)8-13(16)17-4-2/h9-10H,3-8H2,1-2H3
InChIKeyCULPFFMTKWFMNJ-UHFFFAOYSA-N
XLogP2.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate?
The IUPAC name of ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate (CID 67587665) is ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate is CCOC(=O)CC1CCCc2c1cnn2CC.
What is the InChIKey of ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate?
The InChIKey is CULPFFMTKWFMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-12-7-5-6-10(11(12)9-14-15)8-13(16)17-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate?
ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate has a molecular weight of 236.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethyl-4,5,6,7-tetrahydroindazol-4-yl)acetate is sourced from PubChem (CID 67587665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).