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

C8H10N2O2 — CID 122545614

IUPAC[(5R)-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-/m1/s1
InChIKeyAXASQCVBUILAPV-SSDOTTSWSA-N
MW166.18 g/mol
LogP0.44
Rot. Bonds2

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

[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate (PubChem CID 122545614) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate.

Molecular Properties

Compound Name[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate
PubChem CID122545614
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name[(5R)-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-/m1/s1
InChIKeyAXASQCVBUILAPV-SSDOTTSWSA-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 [(5R)-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 [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate?
The IUPAC name of [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate (CID 122545614) is [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate.
What is the SMILES notation for [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate?
The canonical SMILES for [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate is O=CO[C@@H]1CCc2[nH]ncc2C1.
What is the InChIKey of [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate?
The InChIKey is AXASQCVBUILAPV-SSDOTTSWSA-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-/m1/s1.
What are the key properties of [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate?
[(5R)-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 [(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl] formate is sourced from PubChem (CID 122545614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).