3-thiophen-3-yl-6,7-dihydro-1H-indazole

C11H10N2S — CID 91102586

IUPAC3-thiophen-3-yl-6,7-dihydro-1H-indazole
SMILESC1=Cc2c(-c3ccsc3)n[nH]c2CC1
InChIInChI=1S/C11H10N2S/c1-2-4-10-9(3-1)11(13-12-10)8-5-6-14-7-8/h1,3,5-7H,2,4H2,(H,12,13)
InChIKeyVOHLDHXZLHKTJN-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.10
Rot. Bonds1

About 3-thiophen-3-yl-6,7-dihydro-1H-indazole

3-thiophen-3-yl-6,7-dihydro-1H-indazole (PubChem CID 91102586) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-thiophen-3-yl-6,7-dihydro-1H-indazole.

Molecular Properties

Compound Name3-thiophen-3-yl-6,7-dihydro-1H-indazole
PubChem CID91102586
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name3-thiophen-3-yl-6,7-dihydro-1H-indazole
SMILESC1=Cc2c(-c3ccsc3)n[nH]c2CC1
InChIInChI=1S/C11H10N2S/c1-2-4-10-9(3-1)11(13-12-10)8-5-6-14-7-8/h1,3,5-7H,2,4H2,(H,12,13)
InChIKeyVOHLDHXZLHKTJN-UHFFFAOYSA-N
XLogP3.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-thiophen-3-yl-6,7-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

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-6,7-dihydro-1H-indazole?
The IUPAC name of 3-thiophen-3-yl-6,7-dihydro-1H-indazole (CID 91102586) is 3-thiophen-3-yl-6,7-dihydro-1H-indazole.
What is the SMILES notation for 3-thiophen-3-yl-6,7-dihydro-1H-indazole?
The canonical SMILES for 3-thiophen-3-yl-6,7-dihydro-1H-indazole is C1=Cc2c(-c3ccsc3)n[nH]c2CC1.
What is the InChIKey of 3-thiophen-3-yl-6,7-dihydro-1H-indazole?
The InChIKey is VOHLDHXZLHKTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-2-4-10-9(3-1)11(13-12-10)8-5-6-14-7-8/h1,3,5-7H,2,4H2,(H,12,13).
What are the key properties of 3-thiophen-3-yl-6,7-dihydro-1H-indazole?
3-thiophen-3-yl-6,7-dihydro-1H-indazole has a molecular weight of 202.28 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-6,7-dihydro-1H-indazole is sourced from PubChem (CID 91102586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).