4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole

C19H16N2S — CID 122209228

IUPAC4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole
SMILESCc1c(-c2cccc(-c3ccc4sccc4c3)c2)cnn1C
InChIInChI=1S/C19H16N2S/c1-13-18(12-20-21(13)2)16-5-3-4-14(10-16)15-6-7-19-17(11-15)8-9-22-19/h3-12H,1-2H3
InChIKeyDQGCBGDSAJVRKB-UHFFFAOYSA-N
MW304.42 g/mol
LogP5.28
Rot. Bonds2

About 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole

4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole (PubChem CID 122209228) has the molecular formula C19H16N2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole
PubChem CID122209228
Molecular FormulaC19H16N2S
Molecular Weight304.42 g/mol
Exact Mass304.10
IUPAC Name4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole
SMILESCc1c(-c2cccc(-c3ccc4sccc4c3)c2)cnn1C
InChIInChI=1S/C19H16N2S/c1-13-18(12-20-21(13)2)16-5-3-4-14(10-16)15-6-7-19-17(11-15)8-9-22-19/h3-12H,1-2H3
InChIKeyDQGCBGDSAJVRKB-UHFFFAOYSA-N
XLogP5.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole 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 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole?
The IUPAC name of 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole (CID 122209228) is 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole.
What is the SMILES notation for 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole?
The canonical SMILES for 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole is Cc1c(-c2cccc(-c3ccc4sccc4c3)c2)cnn1C.
What is the InChIKey of 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole?
The InChIKey is DQGCBGDSAJVRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S/c1-13-18(12-20-21(13)2)16-5-3-4-14(10-16)15-6-7-19-17(11-15)8-9-22-19/h3-12H,1-2H3.
What are the key properties of 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole?
4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole has a molecular weight of 304.42 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzothiophen-5-yl)phenyl]-1,5-dimethylpyrazole is sourced from PubChem (CID 122209228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).