2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine

C14H25N3OS — CID 114654096

IUPAC2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(CSC1CCCC1)NC
InChIInChI=1S/C14H25N3OS/c1-4-17-14(13(18-3)9-16-17)12(15-2)10-19-11-7-5-6-8-11/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyXFPHKWAIWTZUAB-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.85
Rot. Bonds7

About 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine

2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine (PubChem CID 114654096) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
PubChem CID114654096
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
SMILESCCn1ncc(OC)c1C(CSC1CCCC1)NC
InChIInChI=1S/C14H25N3OS/c1-4-17-14(13(18-3)9-16-17)12(15-2)10-19-11-7-5-6-8-11/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyXFPHKWAIWTZUAB-UHFFFAOYSA-N
XLogP2.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
[2-cyclohexylsulfanyl-1-(4-methoxy-1-propylpyrazol-5-yl)ethyl]hydrazine
CID 105227824
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114654144
[2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339349
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660208
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048052
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-cyclopentylsulfanyl-N-methylethanamine
CID 114654108
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine (CID 114654096) is 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine is CCn1ncc(OC)c1C(CSC1CCCC1)NC.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
The InChIKey is XFPHKWAIWTZUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-4-17-14(13(18-3)9-16-17)12(15-2)10-19-11-7-5-6-8-11/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine?
2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine has a molecular weight of 283.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 114654096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).