1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

C15H22ClN3S — CID 104991694

IUPAC1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)c2sccc2Cl)n1
InChIInChI=1S/C15H22ClN3S/c1-4-12(5-2)19-8-6-11(18-19)10-14(17-3)15-13(16)7-9-20-15/h6-9,12,14,17H,4-5,10H2,1-3H3
InChIKeySWGRPEJPUBKAPV-UHFFFAOYSA-N
MW311.88 g/mol
LogP4.46
Rot. Bonds7

About 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine

1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (PubChem CID 104991694) has the molecular formula C15H22ClN3S and a molecular weight of 311.88 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
PubChem CID104991694
Molecular FormulaC15H22ClN3S
Molecular Weight311.88 g/mol
Exact Mass311.12
IUPAC Name1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
SMILESCCC(CC)n1ccc(CC(NC)c2sccc2Cl)n1
InChIInChI=1S/C15H22ClN3S/c1-4-12(5-2)19-8-6-11(18-19)10-14(17-3)15-13(16)7-9-20-15/h6-9,12,14,17H,4-5,10H2,1-3H3
InChIKeySWGRPEJPUBKAPV-UHFFFAOYSA-N
XLogP4.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.88
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-butan-2-ylpyrazol-3-yl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105312536
1-(5-bromothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 105155766
[1-(3-ethylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethyl]hydrazine
CID 105313402
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 107968418
1-(2-chlorofuran-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 106692263
1-(3-chlorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64783752
1-(4-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785500
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 104998048
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-pyrimidin-4-ylethanamine
CID 64778037
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991693
1-(3-chloro-4-methylthiophen-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 103406335
1-(3-fluorophenyl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 64785502

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine (CID 104991694) is 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is CCC(CC)n1ccc(CC(NC)c2sccc2Cl)n1.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
The InChIKey is SWGRPEJPUBKAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3S/c1-4-12(5-2)19-8-6-11(18-19)10-14(17-3)15-13(16)7-9-20-15/h6-9,12,14,17H,4-5,10H2,1-3H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine?
1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine has a molecular weight of 311.88 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104991694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).