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

C15H23N3S — CID 102812405

IUPACN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cn(C)nc1CC
InChIInChI=1S/C15H23N3S/c1-4-14-13(11-18(3)17-14)15(16-5-2)9-8-12-7-6-10-19-12/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3
InChIKeyMCOZUOMFYSFZKN-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.33
Rot. Bonds7

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

N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 102812405) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID102812405
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cn(C)nc1CC
InChIInChI=1S/C15H23N3S/c1-4-14-13(11-18(3)17-14)15(16-5-2)9-8-12-7-6-10-19-12/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3
InChIKeyMCOZUOMFYSFZKN-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 115990044
N-ethyl-1-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 63776349
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
CID 102812215
N-ethyl-3-thiophen-2-yl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 115860753
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 112549165
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 107968303
1-(2,4-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860970
1-(2,5-dibromophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115861015
[(3-ethyl-1-methylpyrazol-4-yl)-thiophen-2-ylmethyl]hydrazine
CID 102813003
1-(3-ethyl-1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 102811930

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine (CID 102812405) is N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cn(C)nc1CC.
What is the InChIKey of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is MCOZUOMFYSFZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-4-14-13(11-18(3)17-14)15(16-5-2)9-8-12-7-6-10-19-12/h6-7,10-11,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 277.44 g/mol, XLogP of 3.33, 7 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)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 102812405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).