2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine

C16H22IN3S — CID 104993958

IUPAC2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)c1csc(I)c1
InChIInChI=1S/C16H22IN3S/c1-2-18-15(12-9-16(17)21-11-12)10-13-7-8-20(19-13)14-5-3-4-6-14/h7-9,11,14-15,18H,2-6,10H2,1H3
InChIKeyWKZXHOXDNJLXHL-UHFFFAOYSA-N
MW415.34 g/mol
LogP4.56
Rot. Bonds6

About 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine (PubChem CID 104993958) has the molecular formula C16H22IN3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
PubChem CID104993958
Molecular FormulaC16H22IN3S
Molecular Weight415.34 g/mol
Exact Mass415.06
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)c1csc(I)c1
InChIInChI=1S/C16H22IN3S/c1-2-18-15(12-9-16(17)21-11-12)10-13-7-8-20(19-13)14-5-3-4-6-14/h7-9,11,14-15,18H,2-6,10H2,1H3
InChIKeyWKZXHOXDNJLXHL-UHFFFAOYSA-N
XLogP4.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 64779215
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-(5-bromothiophen-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethyl]hydrazine
CID 105314459
N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 64783953
1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105157013
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)-N-methyl-1-phenylethanamine
CID 64777224
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiolan-3-yl)ethanamine
CID 105157060

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine (CID 104993958) is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine is CCNC(Cc1ccn(C2CCCC2)n1)c1csc(I)c1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine?
The InChIKey is WKZXHOXDNJLXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22IN3S/c1-2-18-15(12-9-16(17)21-11-12)10-13-7-8-20(19-13)14-5-3-4-6-14/h7-9,11,14-15,18H,2-6,10H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine has a molecular weight of 415.34 g/mol, XLogP of 4.56, 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-(5-iodothiophen-3-yl)ethanamine is sourced from PubChem (CID 104993958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).