4-(1-benzothiophen-5-yl)-1H-pyrazole

C11H8N2S — CID 67417702

IUPAC4-(1-benzothiophen-5-yl)-1H-pyrazole
SMILESc1cc2cc(-c3cn[nH]c3)ccc2s1
InChIInChI=1S/C11H8N2S/c1-2-11-9(3-4-14-11)5-8(1)10-6-12-13-7-10/h1-7H,(H,12,13)
InChIKeyZUJRPXCKKYZBPF-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 4-(1-benzothiophen-5-yl)-1H-pyrazole

4-(1-benzothiophen-5-yl)-1H-pyrazole (PubChem CID 67417702) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1-benzothiophen-5-yl)-1H-pyrazole
PubChem CID67417702
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name4-(1-benzothiophen-5-yl)-1H-pyrazole
SMILESc1cc2cc(-c3cn[nH]c3)ccc2s1
InChIInChI=1S/C11H8N2S/c1-2-11-9(3-4-14-11)5-8(1)10-6-12-13-7-10/h1-7H,(H,12,13)
InChIKeyZUJRPXCKKYZBPF-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-benzothiophen-5-yl)-1H-pyrazole 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-5-yl)-1H-pyrazole?
The IUPAC name of 4-(1-benzothiophen-5-yl)-1H-pyrazole (CID 67417702) is 4-(1-benzothiophen-5-yl)-1H-pyrazole.
What is the SMILES notation for 4-(1-benzothiophen-5-yl)-1H-pyrazole?
The canonical SMILES for 4-(1-benzothiophen-5-yl)-1H-pyrazole is c1cc2cc(-c3cn[nH]c3)ccc2s1.
What is the InChIKey of 4-(1-benzothiophen-5-yl)-1H-pyrazole?
The InChIKey is ZUJRPXCKKYZBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-11-9(3-4-14-11)5-8(1)10-6-12-13-7-10/h1-7H,(H,12,13).
What are the key properties of 4-(1-benzothiophen-5-yl)-1H-pyrazole?
4-(1-benzothiophen-5-yl)-1H-pyrazole has a molecular weight of 200.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-5-yl)-1H-pyrazole is sourced from PubChem (CID 67417702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).