2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine

C14H21N5S — CID 105157069

IUPAC2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)c1csnn1
InChIInChI=1S/C14H21N5S/c1-2-15-13(14-10-20-18-16-14)9-11-7-8-19(17-11)12-5-3-4-6-12/h7-8,10,12-13,15H,2-6,9H2,1H3
InChIKeyDTMSUXBCJOJJQP-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.74
Rot. Bonds6

About 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine

2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine (PubChem CID 105157069) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
PubChem CID105157069
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine
SMILESCCNC(Cc1ccn(C2CCCC2)n1)c1csnn1
InChIInChI=1S/C14H21N5S/c1-2-15-13(14-10-20-18-16-14)9-11-7-8-19(17-11)12-5-3-4-6-12/h7-8,10,12-13,15H,2-6,9H2,1H3
InChIKeyDTMSUXBCJOJJQP-UHFFFAOYSA-N
XLogP2.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-pyrimidin-2-ylethanamine
CID 64778210
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(5-iodothiophen-3-yl)ethanamine
CID 104993958
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 64779215
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-ethyl-1-(thiolan-3-yl)ethanamine
CID 105157060
2-(1-cyclopentylpyrazol-3-yl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 105157013
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105157026
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196
N-[2-(1-cyclopentylpyrazol-3-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 64783953

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The IUPAC name of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine (CID 105157069) is 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine is CCNC(Cc1ccn(C2CCCC2)n1)c1csnn1.
What is the InChIKey of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
The InChIKey is DTMSUXBCJOJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-2-15-13(14-10-20-18-16-14)9-11-7-8-19(17-11)12-5-3-4-6-12/h7-8,10,12-13,15H,2-6,9H2,1H3.
What are the key properties of 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine?
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(thiadiazol-4-yl)ethanamine is sourced from PubChem (CID 105157069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).