N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine

C14H21N3S — CID 102812215

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cn(C)nc1CC
InChIInChI=1S/C14H21N3S/c1-4-13-12(9-17(3)16-13)14(15-5-2)8-11-6-7-18-10-11/h6-7,9-10,14-15H,4-5,8H2,1-3H3
InChIKeyNWBJLIZQWVAHGJ-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.94
Rot. Bonds6

About N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine (PubChem CID 102812215) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
PubChem CID102812215
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccsc1)c1cn(C)nc1CC
InChIInChI=1S/C14H21N3S/c1-4-13-12(9-17(3)16-13)14(15-5-2)8-11-6-7-18-10-11/h6-7,9-10,14-15H,4-5,8H2,1-3H3
InChIKeyNWBJLIZQWVAHGJ-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 102812689
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 102812405
2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
CID 102812420
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-4,4,4-trifluorobutan-1-amine
CID 102812485
N-ethyl-1-(2-iodophenyl)-2-thiophen-3-ylethanamine
CID 61078733
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)prop-2-en-1-amine
CID 102812552
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 61078384
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
CID 62126444
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-3-ylethanamine
CID 103126767
N-ethyl-1-isoquinolin-4-yl-2-thiophen-3-ylethanamine
CID 105147369

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine (CID 102812215) is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine is CCNC(Cc1ccsc1)c1cn(C)nc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine?
The InChIKey is NWBJLIZQWVAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-13-12(9-17(3)16-13)14(15-5-2)8-11-6-7-18-10-11/h6-7,9-10,14-15H,4-5,8H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine has a molecular weight of 263.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine is sourced from PubChem (CID 102812215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).