1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine

C12H17N3S — CID 102806861

IUPAC1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cn(C)nc2C)s1
InChIInChI=1S/C12H17N3S/c1-4-10(13)12-6-5-11(16-12)9-7-15(3)14-8(9)2/h5-7,10H,4,13H2,1-3H3
InChIKeyVHVXSECLGMXLMJ-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.87
Rot. Bonds3

About 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine

1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine (PubChem CID 102806861) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine
PubChem CID102806861
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cn(C)nc2C)s1
InChIInChI=1S/C12H17N3S/c1-4-10(13)12-6-5-11(16-12)9-7-15(3)14-8(9)2/h5-7,10H,4,13H2,1-3H3
InChIKeyVHVXSECLGMXLMJ-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-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

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine (CID 102806861) is 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine is CCC(N)c1ccc(-c2cn(C)nc2C)s1.
What is the InChIKey of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine?
The InChIKey is VHVXSECLGMXLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-10(13)12-6-5-11(16-12)9-7-15(3)14-8(9)2/h5-7,10H,4,13H2,1-3H3.
What are the key properties of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine?
1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]propan-1-amine is sourced from PubChem (CID 102806861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).