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

C13H19N3S — CID 102806864

IUPAC1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cn(C)nc2C)s1
InChIInChI=1S/C13H19N3S/c1-5-11(14-3)13-7-6-12(17-13)10-8-16(4)15-9(10)2/h6-8,11,14H,5H2,1-4H3
InChIKeyDJCNQNQOUNYEMU-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.13
Rot. Bonds4

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

1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine (PubChem CID 102806864) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine
PubChem CID102806864
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccc(-c2cn(C)nc2C)s1
InChIInChI=1S/C13H19N3S/c1-5-11(14-3)13-7-6-12(17-13)10-8-16(4)15-9(10)2/h6-8,11,14H,5H2,1-4H3
InChIKeyDJCNQNQOUNYEMU-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-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]-N-methylpropan-1-amine?
The IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine (CID 102806864) is 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine is CCC(NC)c1ccc(-c2cn(C)nc2C)s1.
What is the InChIKey of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine?
The InChIKey is DJCNQNQOUNYEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-5-11(14-3)13-7-6-12(17-13)10-8-16(4)15-9(10)2/h6-8,11,14H,5H2,1-4H3.
What are the key properties of 1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine?
1-[5-(1,3-dimethylpyrazol-4-yl)thiophen-2-yl]-N-methylpropan-1-amine has a molecular weight of 249.38 g/mol, XLogP of 3.13, 4 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]-N-methylpropan-1-amine is sourced from PubChem (CID 102806864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).