1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine

C13H26N4OS — CID 114649780

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
SMILESCCNC(CSC)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C13H26N4OS/c1-6-14-11(10-19-5)13-12(18-4)9-15-17(13)8-7-16(2)3/h9,11,14H,6-8,10H2,1-5H3
InChIKeyVHNKPSSLXRFVKN-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.47
Rot. Bonds9

About 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine (PubChem CID 114649780) has the molecular formula C13H26N4OS and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
PubChem CID114649780
Molecular FormulaC13H26N4OS
Molecular Weight286.44 g/mol
Exact Mass286.18
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine
SMILESCCNC(CSC)c1c(OC)cnn1CCN(C)C
InChIInChI=1S/C13H26N4OS/c1-6-14-11(10-19-5)13-12(18-4)9-15-17(13)8-7-16(2)3/h9,11,14H,6-8,10H2,1-5H3
InChIKeyVHNKPSSLXRFVKN-UHFFFAOYSA-N
XLogP1.47
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethylbut-3-en-1-amine
CID 114660836
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648480
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2,2-difluoroethanamine
CID 103517114
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylbutan-1-amine
CID 114651722
2-[5-(2-ethylsulfanyl-1-hydrazinylethyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 105225559
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 114653881
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,3-dimethylpentan-1-amine
CID 105039863
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-propylbut-3-en-1-amine
CID 114660849
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-propylbutan-1-amine
CID 114651746
2-[5-[ethylamino(1,3-thiazol-4-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114658733
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N,2-dimethylbutan-1-amine
CID 114651696

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine (CID 114649780) is 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine is CCNC(CSC)c1c(OC)cnn1CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine?
The InChIKey is VHNKPSSLXRFVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS/c1-6-14-11(10-19-5)13-12(18-4)9-15-17(13)8-7-16(2)3/h9,11,14H,6-8,10H2,1-5H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine?
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine has a molecular weight of 286.44 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2-methylsulfanylethanamine is sourced from PubChem (CID 114649780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).