2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine

C16H27N3S — CID 105157060

IUPAC2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)C1CCSC1
InChIInChI=1S/C16H27N3S/c1-2-17-16(13-8-10-20-12-13)11-14-7-9-19(18-14)15-5-3-4-6-15/h7,9,13,15-17H,2-6,8,10-12H2,1H3
InChIKeyLCSJRCFFXKAMQZ-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.27
Rot. Bonds6

About 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine (PubChem CID 105157060) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
PubChem CID105157060
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)C1CCSC1
InChIInChI=1S/C16H27N3S/c1-2-17-16(13-8-10-20-12-13)11-14-7-9-19(18-14)15-5-3-4-6-15/h7,9,13,15-17H,2-6,8,10-12H2,1H3
InChIKeyLCSJRCFFXKAMQZ-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79961112
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 64778224
N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-(thiolan-3-yl)ethanamine
CID 105155745
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105157056
[2-(1-cyclopentylpyrazol-3-yl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249246
[2-(1-cyclopentylpyrazol-3-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446532
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
CID 105157069
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 64778210
1-(1-cyclohexylpyrazol-3-yl)-3-(thian-4-yl)propan-2-ol
CID 105102348

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine (CID 105157060) is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine is CCNC(Cc1ccn(C2CCCC2)n1)C1CCSC1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine?
The InChIKey is LCSJRCFFXKAMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-2-17-16(13-8-10-20-12-13)11-14-7-9-19(18-14)15-5-3-4-6-15/h7,9,13,15-17H,2-6,8,10-12H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105157060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).