1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C15H21Cl2N3S — CID 107968418

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C15H21Cl2N3S/c1-4-11(5-2)20-7-6-10(19-20)8-13(18-3)12-9-14(16)21-15(12)17/h6-7,9,11,13,18H,4-5,8H2,1-3H3
InChIKeyREOFHQJJWBMVJT-UHFFFAOYSA-N
MW346.33 g/mol
LogP5.12
Rot. Bonds7

About 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 107968418) has the molecular formula C15H21Cl2N3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID107968418
Molecular FormulaC15H21Cl2N3S
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C15H21Cl2N3S/c1-4-11(5-2)20-7-6-10(19-20)8-13(18-3)12-9-14(16)21-15(12)17/h6-7,9,11,13,18H,4-5,8H2,1-3H3
InChIKeyREOFHQJJWBMVJT-UHFFFAOYSA-N
XLogP5.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.33
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine with MolForge

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Related Compounds

1-(2-chlorofuran-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 106692263
1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991694
1-(3-chlorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64783752
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991693
1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 105155766
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107963061
1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785500
1-(3-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785502
1-(2-bromo-4-chlorophenyl)-2-(1-butan-2-ylpyrazol-3-yl)-N-methylethanamine
CID 107993553
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanamine
CID 64778037
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 107968418) is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(NC)c2cc(Cl)sc2Cl)n1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is REOFHQJJWBMVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3S/c1-4-11(5-2)20-7-6-10(19-20)8-13(18-3)12-9-14(16)21-15(12)17/h6-7,9,11,13,18H,4-5,8H2,1-3H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 346.33 g/mol, XLogP of 5.12, 7 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-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107968418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).