N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine

C13H19N3S — CID 43692815

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCc1n[nH]c(C)c1CNC(C)Cc1cccs1
InChIInChI=1S/C13H19N3S/c1-9(7-12-5-4-6-17-12)14-8-13-10(2)15-16-11(13)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyOVVXMKXUYTVVGS-UHFFFAOYSA-N
MW249.38 g/mol
LogP2.81
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine (PubChem CID 43692815) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
PubChem CID43692815
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine
SMILESCc1n[nH]c(C)c1CNC(C)Cc1cccs1
InChIInChI=1S/C13H19N3S/c1-9(7-12-5-4-6-17-12)14-8-13-10(2)15-16-11(13)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,16)
InChIKeyOVVXMKXUYTVVGS-UHFFFAOYSA-N
XLogP2.81
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-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 N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine (CID 43692815) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine is Cc1n[nH]c(C)c1CNC(C)Cc1cccs1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
The InChIKey is OVVXMKXUYTVVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(7-12-5-4-6-17-12)14-8-13-10(2)15-16-11(13)3/h4-6,9,14H,7-8H2,1-3H3,(H,15,16).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 43692815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).