3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate

C10H13N2O2- — CID 7236613

IUPAC3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
SMILESO=C([O-])CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)/p-1
InChIKeyFXWSNXDIXJGVBI-UHFFFAOYSA-M
MW193.23 g/mol
LogP-0.03
Rot. Bonds3

About 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate

3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate (PubChem CID 7236613) has the molecular formula C10H13N2O2- and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate.

Molecular Properties

Compound Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
PubChem CID7236613
Molecular FormulaC10H13N2O2-
Molecular Weight193.23 g/mol
Exact Mass193.10
IUPAC Name3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate
SMILESO=C([O-])CCc1n[nH]c2c1CCCC2
InChIInChI=1S/C10H14N2O2/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)/p-1
InChIKeyFXWSNXDIXJGVBI-UHFFFAOYSA-M
XLogP-0.03
TPSA68.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate?
The IUPAC name of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate (CID 7236613) is 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate.
What is the SMILES notation for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate?
The canonical SMILES for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate is O=C([O-])CCc1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate?
The InChIKey is FXWSNXDIXJGVBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)6-5-9-7-3-1-2-4-8(7)11-12-9/h1-6H2,(H,11,12)(H,13,14)/p-1.
What are the key properties of 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate?
3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate has a molecular weight of 193.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoate is sourced from PubChem (CID 7236613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).