1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine

C10H19N3OS — CID 114653438

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)c1c(OC)cnn1CC
InChIInChI=1S/C10H19N3OS/c1-4-13-10(8(11)7-15-5-2)9(14-3)6-12-13/h6,8H,4-5,7,11H2,1-3H3
InChIKeyFCDMQWHHTJSDSY-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.66
Rot. Bonds6

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine

1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine (PubChem CID 114653438) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
PubChem CID114653438
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine
SMILESCCSCC(N)c1c(OC)cnn1CC
InChIInChI=1S/C10H19N3OS/c1-4-13-10(8(11)7-15-5-2)9(14-3)6-12-13/h6,8H,4-5,7,11H2,1-3H3
InChIKeyFCDMQWHHTJSDSY-UHFFFAOYSA-N
XLogP1.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638597
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653547
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxypropan-1-amine
CID 114657669
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,2,2-trifluoroethanamine
CID 105047700
[2-ethylsulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethyl]hydrazine
CID 105225373
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-phenylbutan-1-amine
CID 105186612
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanamine
CID 114650058
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-amine
CID 114661490
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186707
(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylthiophen-3-yl)methanamine
CID 114658384

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine (CID 114653438) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine is CCSCC(N)c1c(OC)cnn1CC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine?
The InChIKey is FCDMQWHHTJSDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-13-10(8(11)7-15-5-2)9(14-3)6-12-13/h6,8H,4-5,7,11H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine has a molecular weight of 229.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-2-ethylsulfanylethanamine is sourced from PubChem (CID 114653438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).