1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine

C12H21N3S — CID 80583918

IUPAC1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCCn1cc(C(C)NCC2CCCS2)cn1
InChIInChI=1S/C12H21N3S/c1-3-15-9-11(7-14-15)10(2)13-8-12-5-4-6-16-12/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyGYKAQLGMBYZIHH-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.45
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine

1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 80583918) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID80583918
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCCn1cc(C(C)NCC2CCCS2)cn1
InChIInChI=1S/C12H21N3S/c1-3-15-9-11(7-14-15)10(2)13-8-12-5-4-6-16-12/h7,9-10,12-13H,3-6,8H2,1-2H3
InChIKeyGYKAQLGMBYZIHH-UHFFFAOYSA-N
XLogP2.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601201
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060
3-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890826
2-N-cyclopropyl-1-N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-N-methylpropane-1,2-diamine
CID 113261232
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712805
(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
CID 164632644
1-(4-imidazol-1-ylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584180
1-(1,3-thiazol-2-yl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584011
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115704376
1-(1-ethylpyrazol-4-yl)-N-[[(2R,3S)-2-(1-methylimidazol-2-yl)oxan-3-yl]methyl]ethanamine
CID 154761785
1-(1,3-dimethylpyrazol-4-yl)-N-(thian-2-ylmethyl)ethanamine
CID 80600445
1-[3-(ethylamino)propyl]-N-(thiolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 106071539

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine (CID 80583918) is 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine is CCn1cc(C(C)NCC2CCCS2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is GYKAQLGMBYZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-15-9-11(7-14-15)10(2)13-8-12-5-4-6-16-12/h7,9-10,12-13H,3-6,8H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine?
1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80583918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).