2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine

C16H24ClN3S — CID 104998492

IUPAC2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1C)c1ccc(CC)s1
InChIInChI=1S/C16H24ClN3S/c1-5-11-8-9-15(21-11)13(18-7-3)10-14-16(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3
InChIKeyDCSDGPDODIRKOC-UHFFFAOYSA-N
MW325.91 g/mol
LogP4.15
Rot. Bonds7

About 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine

2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine (PubChem CID 104998492) has the molecular formula C16H24ClN3S and a molecular weight of 325.91 g/mol. Its IUPAC name is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
PubChem CID104998492
Molecular FormulaC16H24ClN3S
Molecular Weight325.91 g/mol
Exact Mass325.14
IUPAC Name2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1c(Cl)c(CC)nn1C)c1ccc(CC)s1
InChIInChI=1S/C16H24ClN3S/c1-5-11-8-9-15(21-11)13(18-7-3)10-14-16(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3
InChIKeyDCSDGPDODIRKOC-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.91
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(5-chlorothiophen-2-yl)ethyl]hydrazine
CID 105316820
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(2-iodophenyl)ethanamine
CID 104998497
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylfuran-2-yl)ethanamine
CID 104998451
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(4-methoxythiophen-2-yl)ethanamine
CID 104998575
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-pyridazin-4-ylethanamine
CID 105159794
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105159863
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-pyridinyl)-N-ethylethanamine
CID 103444619
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105159919
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821661
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-ethylthiophen-2-yl)ethanamine
CID 104996806
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789867
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylethanamine
CID 104998520

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine (CID 104998492) is 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine is CCNC(Cc1c(Cl)c(CC)nn1C)c1ccc(CC)s1.
What is the InChIKey of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
The InChIKey is DCSDGPDODIRKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3S/c1-5-11-8-9-15(21-11)13(18-7-3)10-14-16(17)12(6-2)19-20(14)4/h8-9,13,18H,5-7,10H2,1-4H3.
What are the key properties of 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine?
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine has a molecular weight of 325.91 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-1-(5-ethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 104998492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).