1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

C13H17Cl2N3S — CID 103780244

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H17Cl2N3S/c1-7(10-5-12(14)19-13(10)15)16-6-11-8(2)17-18(4)9(11)3/h5,7,16H,6H2,1-4H3
InChIKeyLNOUJDZRTQFJFM-UHFFFAOYSA-N
MW318.27 g/mol
LogP4.26
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 103780244) has the molecular formula C13H17Cl2N3S and a molecular weight of 318.27 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
PubChem CID103780244
Molecular FormulaC13H17Cl2N3S
Molecular Weight318.27 g/mol
Exact Mass317.05
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
SMILESCc1nn(C)c(C)c1CNC(C)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H17Cl2N3S/c1-7(10-5-12(14)19-13(10)15)16-6-11-8(2)17-18(4)9(11)3/h5,7,16H,6H2,1-4H3
InChIKeyLNOUJDZRTQFJFM-UHFFFAOYSA-N
XLogP4.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine 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-(2,5-dichlorothiophen-3-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 114082787
1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60945720
1-(2,5-dichlorothiophen-3-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 114180137
1-(2,5-dichlorothiophen-3-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 103777773
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]propan-1-amine
CID 43497740
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,5-dichlorothiophen-3-yl)ethyl]hydrazine
CID 107970575
1-(4-bromophenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60663985
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
1-(1-methylpyrazol-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 79224959
1-(4-ethoxyphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 43233364
1-(2,5-dichlorothiophen-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103775330

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine (CID 103780244) is 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is Cc1nn(C)c(C)c1CNC(C)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is LNOUJDZRTQFJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3S/c1-7(10-5-12(14)19-13(10)15)16-6-11-8(2)17-18(4)9(11)3/h5,7,16H,6H2,1-4H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 318.27 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103780244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).