[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate

C8H10N2O2 — CID 122545613

IUPAC[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate
SMILESO=CO[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C8H10N2O2/c11-5-12-7-1-2-8-6(3-7)4-9-10-8/h4-5,7H,1-3H2,(H,9,10)/t7-/m0/s1
InChIKeyAXASQCVBUILAPV-ZETCQYMHSA-N
MW166.18 g/mol
LogP0.44
Rot. Bonds2

About [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate

[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate (PubChem CID 122545613) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate.

Molecular Properties

Compound Name[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate
PubChem CID122545613
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate
SMILESO=CO[C@H]1CCc2[nH]ncc2C1
InChIInChI=1S/C8H10N2O2/c11-5-12-7-1-2-8-6(3-7)4-9-10-8/h4-5,7H,1-3H2,(H,9,10)/t7-/m0/s1
InChIKeyAXASQCVBUILAPV-ZETCQYMHSA-N
XLogP0.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate?
The IUPAC name of [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate (CID 122545613) is [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate.
What is the SMILES notation for [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate?
The canonical SMILES for [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate is O=CO[C@H]1CCc2[nH]ncc2C1.
What is the InChIKey of [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate?
The InChIKey is AXASQCVBUILAPV-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10N2O2/c11-5-12-7-1-2-8-6(3-7)4-9-10-8/h4-5,7H,1-3H2,(H,9,10)/t7-/m0/s1.
What are the key properties of [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate?
[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate has a molecular weight of 166.18 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate is sourced from PubChem (CID 122545613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).