1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine

C11H21N3S — CID 115972460

IUPAC1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine
SMILESCCSCC(C)NC(C)c1cn[nH]c1C
InChIInChI=1S/C11H21N3S/c1-5-15-7-8(2)13-9(3)11-6-12-14-10(11)4/h6,8-9,13H,5,7H2,1-4H3,(H,12,14)
InChIKeyGFRXOBFBRDPRLE-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.51
Rot. Bonds6

About 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine

1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine (PubChem CID 115972460) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine
PubChem CID115972460
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine
SMILESCCSCC(C)NC(C)c1cn[nH]c1C
InChIInChI=1S/C11H21N3S/c1-5-15-7-8(2)13-9(3)11-6-12-14-10(11)4/h6,8-9,13H,5,7H2,1-4H3,(H,12,14)
InChIKeyGFRXOBFBRDPRLE-UHFFFAOYSA-N
XLogP2.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115972844
5-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hexan-2-amine
CID 115970276
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]hept-6-en-2-amine
CID 115975774
3-methyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 115970374
N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]-3-methylsulfanylpropan-1-amine
CID 115972031
N-[1-(6-chloro-3-pyridinyl)ethyl]-1-ethylsulfanylpropan-2-amine
CID 115776767
3,3-dimethyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butan-1-amine
CID 115970785
1-ethylsulfanyl-N-[1-(5-fluoro-3-pyridinyl)ethyl]propan-2-amine
CID 115725711
2-N,2-N-dimethyl-1-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]butane-1,2-diamine
CID 115971740
2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
CID 110011147
4,4-dimethyl-5-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]pentan-2-ol
CID 110011191
2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]-N-propan-2-ylacetamide
CID 115735326

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine (CID 115972460) is 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine is CCSCC(C)NC(C)c1cn[nH]c1C.
What is the InChIKey of 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine?
The InChIKey is GFRXOBFBRDPRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-15-7-8(2)13-9(3)11-6-12-14-10(11)4/h6,8-9,13H,5,7H2,1-4H3,(H,12,14).
What are the key properties of 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine?
1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-N-[1-(5-methyl-1H-pyrazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 115972460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).