1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

C15H17N3S — CID 103030201

IUPAC1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)c2cc3ccccc3s2)cn1
InChIInChI=1S/C15H17N3S/c1-18-10-11(9-17-18)6-7-13(16)15-8-12-4-2-3-5-14(12)19-15/h2-5,8-10,13H,6-7,16H2,1H3
InChIKeyZZJWXHMRNQZDIX-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.27
Rot. Bonds4

About 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103030201) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103030201
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(CCC(N)c2cc3ccccc3s2)cn1
InChIInChI=1S/C15H17N3S/c1-18-10-11(9-17-18)6-7-13(16)15-8-12-4-2-3-5-14(12)19-15/h2-5,8-10,13H,6-7,16H2,1H3
InChIKeyZZJWXHMRNQZDIX-UHFFFAOYSA-N
XLogP3.27
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029878
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822474
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030193
3-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-5-yl)propan-1-amine
CID 103011577
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
3-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)propan-1-amine
CID 103030204
3-(1-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-amine
CID 103029778
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
3-(1-methylpyrazol-4-yl)-1-quinolin-4-ylpropan-1-amine
CID 103029571
1-(1-benzothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 114193144

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103030201) is 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(CCC(N)c2cc3ccccc3s2)cn1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is ZZJWXHMRNQZDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-18-10-11(9-17-18)6-7-13(16)15-8-12-4-2-3-5-14(12)19-15/h2-5,8-10,13H,6-7,16H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103030201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).