4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine

C9H16N4O3S — CID 54921036

IUPAC4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine
SMILESCCC1COCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O3S/c1-2-7-6-16-4-3-13(7)17(14,15)8-5-11-12-9(8)10/h5,7H,2-4,6H2,1H3,(H3,10,11,12)
InChIKeyKHUOMSGFGPCVTF-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.21
Rot. Bonds3

About 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine

4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine (PubChem CID 54921036) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine
PubChem CID54921036
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine
SMILESCCC1COCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C9H16N4O3S/c1-2-7-6-16-4-3-13(7)17(14,15)8-5-11-12-9(8)10/h5,7H,2-4,6H2,1H3,(H3,10,11,12)
InChIKeyKHUOMSGFGPCVTF-UHFFFAOYSA-N
XLogP-0.21
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine (CID 54921036) is 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine is CCC1COCCN1S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine?
The InChIKey is KHUOMSGFGPCVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-2-7-6-16-4-3-13(7)17(14,15)8-5-11-12-9(8)10/h5,7H,2-4,6H2,1H3,(H3,10,11,12).
What are the key properties of 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine?
4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine has a molecular weight of 260.32 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylmorpholin-4-yl)sulfonyl-1H-pyrazol-5-amine is sourced from PubChem (CID 54921036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).