3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine

C14H23N3O2S — CID 43336856

IUPAC3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESNc1cc(CCC2CCCC2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N3O2S/c15-14-9-12(6-5-11-3-1-2-4-11)16-17(14)13-7-8-20(18,19)10-13/h9,11,13H,1-8,10,15H2
InChIKeyZSMAMGNBSRAIDY-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.95
Rot. Bonds4

About 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine

3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine (PubChem CID 43336856) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
PubChem CID43336856
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
SMILESNc1cc(CCC2CCCC2)nn1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N3O2S/c15-14-9-12(6-5-11-3-1-2-4-11)16-17(14)13-7-8-20(18,19)10-13/h9,11,13H,1-8,10,15H2
InChIKeyZSMAMGNBSRAIDY-UHFFFAOYSA-N
XLogP1.95
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-pentylpyrazol-5-amine
CID 43159048
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine
CID 43159044
1-(1,1-dioxothiolan-3-yl)-3-[2-(furan-2-yl)ethyl]pyrazol-5-amine
CID 43159059
3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43159055
1-(1,1-dioxothiolan-3-yl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62906041
1-(1,1-dioxothiolan-3-yl)-3-(1-methylpyrazol-3-yl)pyrazol-5-amine
CID 103118750
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847
3-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 106861410
1-(1,1-dioxothiolan-3-yl)-3-(5-fluoro-2-pyridinyl)pyrazol-5-amine
CID 104638663
1-(1,1-dioxothiolan-3-yl)-3-thieno[3,2-b]thiophen-5-ylpyrazol-5-amine
CID 80733483
1-(1,1-dioxothiolan-3-yl)-3-(3-ethyl-1-methylpyrazol-4-yl)pyrazol-5-amine
CID 102810616
3-(2,4-dimethylphenyl)-1-[(3R)-1,1-dioxothiolan-3-yl]pyrazol-5-amine
CID 93296243

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The IUPAC name of 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine (CID 43336856) is 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine.
What is the SMILES notation for 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The canonical SMILES for 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine is Nc1cc(CCC2CCCC2)nn1C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
The InChIKey is ZSMAMGNBSRAIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c15-14-9-12(6-5-11-3-1-2-4-11)16-17(14)13-7-8-20(18,19)10-13/h9,11,13H,1-8,10,15H2.
What are the key properties of 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine?
3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine has a molecular weight of 297.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine is sourced from PubChem (CID 43336856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).