2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine

C16H27N3S2 — CID 79961112

IUPAC2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)C1CSCCS1
InChIInChI=1S/C16H27N3S2/c1-2-17-15(16-12-20-9-10-21-16)11-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,14-17H,2-6,9-12H2,1H3
InChIKeyRTYQTJYFLYULBI-UHFFFAOYSA-N
MW325.55 g/mol
LogP3.37
Rot. Bonds6

About 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine

2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine (PubChem CID 79961112) has the molecular formula C16H27N3S2 and a molecular weight of 325.55 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
PubChem CID79961112
Molecular FormulaC16H27N3S2
Molecular Weight325.55 g/mol
Exact Mass325.16
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)C1CSCCS1
InChIInChI=1S/C16H27N3S2/c1-2-17-15(16-12-20-9-10-21-16)11-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,14-17H,2-6,9-12H2,1H3
InChIKeyRTYQTJYFLYULBI-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249246
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105157060
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
[2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446532
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 64778210
[2-(1-butan-2-ylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249347
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 105157069
2-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-3,3-dimethylbutan-1-amine
CID 83138326

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine (CID 79961112) is 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine is CCNC(Cc1ccn(C2CCCC2)n1)C1CSCCS1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
The InChIKey is RTYQTJYFLYULBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S2/c1-2-17-15(16-12-20-9-10-21-16)11-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,14-17H,2-6,9-12H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine?
2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine has a molecular weight of 325.55 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine is sourced from PubChem (CID 79961112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).