N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine

C12H23N3S — CID 115725978

IUPACN-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCCn1cc(C(C)NCC(C)(C)SC)cn1
InChIInChI=1S/C12H23N3S/c1-6-15-8-11(7-14-15)10(2)13-9-12(3,4)16-5/h7-8,10,13H,6,9H2,1-5H3
InChIKeyGIEWGQZZIWQCOU-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.70
Rot. Bonds6

About N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine

N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 115725978) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID115725978
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCCn1cc(C(C)NCC(C)(C)SC)cn1
InChIInChI=1S/C12H23N3S/c1-6-15-8-11(7-14-15)10(2)13-9-12(3,4)16-5/h7-8,10,13H,6,9H2,1-5H3
InChIKeyGIEWGQZZIWQCOU-UHFFFAOYSA-N
XLogP2.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 113261870
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712805
N-[1-[1-(1-ethylpyrazol-4-yl)ethylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63859460
2-methyl-2-methylsulfanyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115664278
tert-butyl N-[3-[1-(1-ethylpyrazol-4-yl)ethylamino]-2,2-difluoropropyl]carbamate
CID 104955560
3-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890826
(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
CID 164632644
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115704376
N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172
2-N-cyclopropyl-1-N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-N-methylpropane-1,2-diamine
CID 113261232
1-(1-ethylpyrazol-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106392043
2-methyl-1-[1-(1-propan-2-ylpyrazol-4-yl)ethylamino]propan-2-ol
CID 115718660

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine (CID 115725978) is N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine is CCn1cc(C(C)NCC(C)(C)SC)cn1.
What is the InChIKey of N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is GIEWGQZZIWQCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-15-8-11(7-14-15)10(2)13-9-12(3,4)16-5/h7-8,10,13H,6,9H2,1-5H3.
What are the key properties of N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine?
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115725978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).