1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C15H24N4S — CID 115990044

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)CCc1cccs1
InChIInChI=1S/C15H24N4S/c1-4-14-13(11-19(3)17-14)15(10-16)18(2)8-7-12-6-5-9-20-12/h5-6,9,11,15H,4,7-8,10,16H2,1-3H3
InChIKeyGEMQCJHSZPITIC-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.22
Rot. Bonds7

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 115990044) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID115990044
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCCc1nn(C)cc1C(CN)N(C)CCc1cccs1
InChIInChI=1S/C15H24N4S/c1-4-14-13(11-19(3)17-14)15(10-16)18(2)8-7-12-6-5-9-20-12/h5-6,9,11,15H,4,7-8,10,16H2,1-3H3
InChIKeyGEMQCJHSZPITIC-UHFFFAOYSA-N
XLogP2.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine 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-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 115989833
1-(3-ethyl-1-methylpyrazol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 112669221
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 112669262
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 115989848
N-(2,2-dimethylpropyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethane-1,2-diamine
CID 112669374
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102812405
1-(2,5-difluorophenyl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79475845
N-methyl-1-(4-propan-2-ylphenyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79472526
1-[2-(methoxymethyl)phenyl]-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79471274
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 112669289
[(3-ethyl-1-methylpyrazol-4-yl)-thiophen-2-ylmethyl]hydrazine
CID 102813003
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]ethane-1,2-diamine
CID 115990041

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 115990044) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CCc1nn(C)cc1C(CN)N(C)CCc1cccs1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is GEMQCJHSZPITIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-4-14-13(11-19(3)17-14)15(10-16)18(2)8-7-12-6-5-9-20-12/h5-6,9,11,15H,4,7-8,10,16H2,1-3H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 292.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 115990044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).