3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine

C13H12ClN3S — CID 2824269

IUPAC3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCc1c(-c2cc(N)n(C)n2)sc2ccc(Cl)cc12
InChIInChI=1S/C13H12ClN3S/c1-7-9-5-8(14)3-4-11(9)18-13(7)10-6-12(15)17(2)16-10/h3-6H,15H2,1-2H3
InChIKeyFEDHLTNNVZWXRD-UHFFFAOYSA-N
MW277.78 g/mol
LogP3.85
Rot. Bonds1

About 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine

3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine (PubChem CID 2824269) has the molecular formula C13H12ClN3S and a molecular weight of 277.78 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine
PubChem CID2824269
Molecular FormulaC13H12ClN3S
Molecular Weight277.78 g/mol
Exact Mass277.04
IUPAC Name3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine
SMILESCc1c(-c2cc(N)n(C)n2)sc2ccc(Cl)cc12
InChIInChI=1S/C13H12ClN3S/c1-7-9-5-8(14)3-4-11(9)18-13(7)10-6-12(15)17(2)16-10/h3-6H,15H2,1-2H3
InChIKeyFEDHLTNNVZWXRD-UHFFFAOYSA-N
XLogP3.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-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 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine (CID 2824269) is 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine is Cc1c(-c2cc(N)n(C)n2)sc2ccc(Cl)cc12.
What is the InChIKey of 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is FEDHLTNNVZWXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3S/c1-7-9-5-8(14)3-4-11(9)18-13(7)10-6-12(15)17(2)16-10/h3-6H,15H2,1-2H3.
What are the key properties of 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine?
3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 277.78 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 2824269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).