1-(3-ethylsulfonylpropyl)pyrazol-3-amine

C8H15N3O2S — CID 65093119

IUPAC1-(3-ethylsulfonylpropyl)pyrazol-3-amine
SMILESCCS(=O)(=O)CCCn1ccc(N)n1
InChIInChI=1S/C8H15N3O2S/c1-2-14(12,13)7-3-5-11-6-4-8(9)10-11/h4,6H,2-3,5,7H2,1H3,(H2,9,10)
InChIKeyKMOGLJOTDZZJPD-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.29
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)pyrazol-3-amine

1-(3-ethylsulfonylpropyl)pyrazol-3-amine (PubChem CID 65093119) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)pyrazol-3-amine
PubChem CID65093119
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name1-(3-ethylsulfonylpropyl)pyrazol-3-amine
SMILESCCS(=O)(=O)CCCn1ccc(N)n1
InChIInChI=1S/C8H15N3O2S/c1-2-14(12,13)7-3-5-11-6-4-8(9)10-11/h4,6H,2-3,5,7H2,1H3,(H2,9,10)
InChIKeyKMOGLJOTDZZJPD-UHFFFAOYSA-N
XLogP0.29
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)pyrazol-3-amine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)pyrazol-3-amine (CID 65093119) is 1-(3-ethylsulfonylpropyl)pyrazol-3-amine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)pyrazol-3-amine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)pyrazol-3-amine is CCS(=O)(=O)CCCn1ccc(N)n1.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)pyrazol-3-amine?
The InChIKey is KMOGLJOTDZZJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-2-14(12,13)7-3-5-11-6-4-8(9)10-11/h4,6H,2-3,5,7H2,1H3,(H2,9,10).
What are the key properties of 1-(3-ethylsulfonylpropyl)pyrazol-3-amine?
1-(3-ethylsulfonylpropyl)pyrazol-3-amine has a molecular weight of 217.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)pyrazol-3-amine is sourced from PubChem (CID 65093119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).