N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine

C15H23N3S — CID 105002857

IUPACN-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)c1ccc(C)s1
InChIInChI=1S/C15H23N3S/c1-5-16-14(15-8-7-12(4)19-15)10-13-9-11(3)17-18(13)6-2/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyVTWYYKLYQSMOEX-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.47
Rot. Bonds6

About N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine

N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine (PubChem CID 105002857) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
PubChem CID105002857
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC NameN-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
SMILESCCNC(Cc1cc(C)nn1CC)c1ccc(C)s1
InChIInChI=1S/C15H23N3S/c1-5-16-14(15-8-7-12(4)19-15)10-13-9-11(3)17-18(13)6-2/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyVTWYYKLYQSMOEX-UHFFFAOYSA-N
XLogP3.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105001762
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 105002673
1-(2,4-dimethylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002816
2-(4-bromo-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105002467
1-(2-bromo-4-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002645
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002769
1-(2,5-dibromophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002758
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002651
2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 105001588
1-(2-bromo-5-fluorophenyl)-N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002683
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105162407
[(2-ethyl-5-methylpyrazol-3-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318757

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine (CID 105002857) is N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine is CCNC(Cc1cc(C)nn1CC)c1ccc(C)s1.
What is the InChIKey of N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine?
The InChIKey is VTWYYKLYQSMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-5-16-14(15-8-7-12(4)19-15)10-13-9-11(3)17-18(13)6-2/h7-9,14,16H,5-6,10H2,1-4H3.
What are the key properties of N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine?
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine has a molecular weight of 277.44 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 105002857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).