N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine

C12H23N3S — CID 105114746

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
SMILESCCNC(CCSC)Cc1cnn(CC)c1
InChIInChI=1S/C12H23N3S/c1-4-13-12(6-7-16-3)8-11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyLXEGQWIGYIKGGB-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.18
Rot. Bonds8

About N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine

N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine (PubChem CID 105114746) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
PubChem CID105114746
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
SMILESCCNC(CCSC)Cc1cnn(CC)c1
InChIInChI=1S/C12H23N3S/c1-4-13-12(6-7-16-3)8-11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyLXEGQWIGYIKGGB-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711495
N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
CID 105114560
1-(1-ethylpyrazol-4-yl)-N-propyldecan-2-amine
CID 115822163
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66142724
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylsulfanylethanamine
CID 63966878
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 82789190
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
CID 65143155

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine (CID 105114746) is N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine is CCNC(CCSC)Cc1cnn(CC)c1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine?
The InChIKey is LXEGQWIGYIKGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-13-12(6-7-16-3)8-11-9-14-15(5-2)10-11/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine?
N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine is sourced from PubChem (CID 105114746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).