1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine

C13H20N4S — CID 79471004

IUPAC1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine
SMILESCC(Cc1cccs1)N(C)CCn1ccc(N)n1
InChIInChI=1S/C13H20N4S/c1-11(10-12-4-3-9-18-12)16(2)7-8-17-6-5-13(14)15-17/h3-6,9,11H,7-8,10H2,1-2H3,(H2,14,15)
InChIKeyDFDIFCTXAXARNS-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.09
Rot. Bonds6

About 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine

1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine (PubChem CID 79471004) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine
PubChem CID79471004
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine
SMILESCC(Cc1cccs1)N(C)CCn1ccc(N)n1
InChIInChI=1S/C13H20N4S/c1-11(10-12-4-3-9-18-12)16(2)7-8-17-6-5-13(14)15-17/h3-6,9,11H,7-8,10H2,1-2H3,(H2,14,15)
InChIKeyDFDIFCTXAXARNS-UHFFFAOYSA-N
XLogP2.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-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-[2-[methyl(pentan-2-yl)amino]ethyl]pyrazol-3-amine
CID 63318328
1-(2-thiophen-2-ylethyl)pyrazol-3-amine
CID 63773628
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
5-chloro-6-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyridin-2-amine
CID 79486505
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
6-methyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyrimidin-4-amine
CID 80657795
N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine (CID 79471004) is 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine is CC(Cc1cccs1)N(C)CCn1ccc(N)n1.
What is the InChIKey of 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine?
The InChIKey is DFDIFCTXAXARNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-11(10-12-4-3-9-18-12)16(2)7-8-17-6-5-13(14)15-17/h3-6,9,11H,7-8,10H2,1-2H3,(H2,14,15).
What are the key properties of 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine?
1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine has a molecular weight of 264.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethyl]pyrazol-3-amine is sourced from PubChem (CID 79471004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).