4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine

C11H9N3S — CID 68946010

IUPAC4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1csc2ccccc12
InChIInChI=1S/C11H9N3S/c12-11-8(5-13-14-11)9-6-15-10-4-2-1-3-7(9)10/h1-6H,(H3,12,13,14)
InChIKeySKCZECHINQMZSE-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.87
Rot. Bonds1

About 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine

4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine (PubChem CID 68946010) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
PubChem CID68946010
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1csc2ccccc12
InChIInChI=1S/C11H9N3S/c12-11-8(5-13-14-11)9-6-15-10-4-2-1-3-7(9)10/h1-6H,(H3,12,13,14)
InChIKeySKCZECHINQMZSE-UHFFFAOYSA-N
XLogP2.87
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine 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)-1H-pyrazol-5-amine?
The IUPAC name of 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine (CID 68946010) is 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine?
The InChIKey is SKCZECHINQMZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-11-8(5-13-14-11)9-6-15-10-4-2-1-3-7(9)10/h1-6H,(H3,12,13,14).
What are the key properties of 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine?
4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine has a molecular weight of 215.28 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 68946010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).