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

Analyze 3-phenyl-7,7a-dihydro-1H-indazole with MolForge

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

Launch Full Analysis

Related Compounds

7-methyl-3-(4-phenylphenyl)-7,7a-dihydro-1H-indazole
CID 118508944
3-[[5-methyl-5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazolidin-2-ylidene]amino]-5-phenyl-1,3,9,9a-tetrahydro-1,4-benzodiazepin-2-one
CID 162598278
[6-(2-cyclopropylethynyl)cyclohexa-1,3-dien-1-yl]benzene
CID 135075392
6,7,8,9-tetraphenyl-4,4a-dihydrodibenzothiophene
CID 167108604
2,4-dichloro-6-[3-(6-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-1,3,5-triazine
CID 145237182
N-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-4-phenylaniline
CID 129042279
2-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154932801
1-(6-chlorocyclohexa-1,3-dien-1-yl)-8-phenyl-9H-fluorene
CID 174251617
4-methyl-2-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-5-phenylpyridine
CID 138646102
4-methyl-6-[4-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-2-phenylpyrimidine
CID 156510300
1,2,8,8a-tetrahydrocinnoline
CID 173071728
8-methyl-6-phenyl-4,4a-dihydrodibenzofuran
CID 121420675

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).