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

C10H17N3O3S — CID 43159044

IUPAC1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine
SMILESCOCCc1cc(N)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N3O3S/c1-16-4-2-8-6-10(11)13(12-8)9-3-5-17(14,15)7-9/h6,9H,2-5,7,11H2,1H3
InChIKeyXNFDEJOMAVFYPY-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.01
Rot. Bonds4

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

1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine (PubChem CID 43159044) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine
PubChem CID43159044
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine
SMILESCOCCc1cc(N)n(C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H17N3O3S/c1-16-4-2-8-6-10(11)13(12-8)9-3-5-17(14,15)7-9/h6,9H,2-5,7,11H2,1H3
InChIKeyXNFDEJOMAVFYPY-UHFFFAOYSA-N
XLogP0.01
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-3-pentylpyrazol-5-amine
CID 43159048
3-(2-cyclopentylethyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43336856
1-(1,1-dioxothiolan-3-yl)-3-[2-(furan-2-yl)ethyl]pyrazol-5-amine
CID 43159059
2-(1,1-dioxothiolan-3-yl)-5-(2-methoxyethyl)-4-propylpyrazol-3-amine
CID 79406032
3-cyclobutyl-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 43159055
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
1-(1,1-dioxothiolan-3-yl)-3-(oxan-4-yl)pyrazol-5-amine
CID 62906041
3-(2-chloro-4-methylphenyl)-1-(1,1-dioxothiolan-3-yl)pyrazol-5-amine
CID 106861410
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
1-(1,1-dioxothiolan-3-yl)-3-(5-fluoro-2-pyridinyl)pyrazol-5-amine
CID 104638663

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine (CID 43159044) is 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine is COCCc1cc(N)n(C2CCS(=O)(=O)C2)n1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine?
The InChIKey is XNFDEJOMAVFYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-16-4-2-8-6-10(11)13(12-8)9-3-5-17(14,15)7-9/h6,9H,2-5,7,11H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine?
1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine has a molecular weight of 259.33 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-(2-methoxyethyl)pyrazol-5-amine is sourced from PubChem (CID 43159044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).