4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole

C19H16N2OS — CID 127028493

IUPAC4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole
SMILESCOc1c(-c2csc3ccccc23)c(C)nn1-c1ccccc1
InChIInChI=1S/C19H16N2OS/c1-13-18(16-12-23-17-11-7-6-10-15(16)17)19(22-2)21(20-13)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyBOVNIIMBXNQPGE-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.07
Rot. Bonds3

About 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole

4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole (PubChem CID 127028493) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole
PubChem CID127028493
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole
SMILESCOc1c(-c2csc3ccccc23)c(C)nn1-c1ccccc1
InChIInChI=1S/C19H16N2OS/c1-13-18(16-12-23-17-11-7-6-10-15(16)17)19(22-2)21(20-13)14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyBOVNIIMBXNQPGE-UHFFFAOYSA-N
XLogP5.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole 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-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole?
The IUPAC name of 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole (CID 127028493) is 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole is COc1c(-c2csc3ccccc23)c(C)nn1-c1ccccc1.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole?
The InChIKey is BOVNIIMBXNQPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-13-18(16-12-23-17-11-7-6-10-15(16)17)19(22-2)21(20-13)14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole?
4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole has a molecular weight of 320.42 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-5-methoxy-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 127028493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).