3-phenyl-7,7a-dihydro-1H-indazole

C13H12N2 — CID 163675799

IUPAC3-phenyl-7,7a-dihydro-1H-indazole
SMILESC1=CCC2NN=C(c3ccccc3)C2=C1
InChIInChI=1S/C13H12N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-8,12,14H,9H2
InChIKeyJGOVDRGCFYKNLM-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.25
Rot. Bonds1

About 3-phenyl-7,7a-dihydro-1H-indazole

3-phenyl-7,7a-dihydro-1H-indazole (PubChem CID 163675799) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-phenyl-7,7a-dihydro-1H-indazole.

Molecular Properties

Compound Name3-phenyl-7,7a-dihydro-1H-indazole
PubChem CID163675799
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3-phenyl-7,7a-dihydro-1H-indazole
SMILESC1=CCC2NN=C(c3ccccc3)C2=C1
InChIInChI=1S/C13H12N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-8,12,14H,9H2
InChIKeyJGOVDRGCFYKNLM-UHFFFAOYSA-N
XLogP2.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7,7a-dihydro-1H-indazole?
The IUPAC name of 3-phenyl-7,7a-dihydro-1H-indazole (CID 163675799) is 3-phenyl-7,7a-dihydro-1H-indazole.
What is the SMILES notation for 3-phenyl-7,7a-dihydro-1H-indazole?
The canonical SMILES for 3-phenyl-7,7a-dihydro-1H-indazole is C1=CCC2NN=C(c3ccccc3)C2=C1.
What is the InChIKey of 3-phenyl-7,7a-dihydro-1H-indazole?
The InChIKey is JGOVDRGCFYKNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-6-10(7-3-1)13-11-8-4-5-9-12(11)14-15-13/h1-8,12,14H,9H2.
What are the key properties of 3-phenyl-7,7a-dihydro-1H-indazole?
3-phenyl-7,7a-dihydro-1H-indazole has a molecular weight of 196.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7,7a-dihydro-1H-indazole is sourced from PubChem (CID 163675799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).