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

C12H17N3S — CID 62126444

IUPACN-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ccsc1
InChIInChI=1S/C12H17N3S/c1-3-13-12(11-4-5-16-9-11)6-10-7-14-15(2)8-10/h4-5,7-9,12-13H,3,6H2,1-2H3
InChIKeyYSZPEOZGKLTOIS-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.37
Rot. Bonds5

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

N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine (PubChem CID 62126444) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
PubChem CID62126444
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine
SMILESCCNC(Cc1cnn(C)c1)c1ccsc1
InChIInChI=1S/C12H17N3S/c1-3-13-12(11-4-5-16-9-11)6-10-7-14-15(2)8-10/h4-5,7-9,12-13H,3,6H2,1-2H3
InChIKeyYSZPEOZGKLTOIS-UHFFFAOYSA-N
XLogP2.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
N-ethyl-1-(4-ethylsulfanylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 106849241
N-[2-(1-ethylpyrazol-4-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62126619
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125915
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821661
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
1-(2-bromophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62126641
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 66426046
N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989998
2-[(1-methylpyrazol-4-yl)methylamino]-1-thiophen-3-ylethanol
CID 111440437
N-ethyl-2-(1-methylpyrazol-4-yl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 63556140

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine?
The IUPAC name of N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine (CID 62126444) is N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine?
The canonical SMILES for N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine is CCNC(Cc1cnn(C)c1)c1ccsc1.
What is the InChIKey of N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine?
The InChIKey is YSZPEOZGKLTOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-13-12(11-4-5-16-9-11)6-10-7-14-15(2)8-10/h4-5,7-9,12-13H,3,6H2,1-2H3.
What are the key properties of N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine?
N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylpyrazol-4-yl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62126444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).