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

C10H18N4O3S — CID 54984990

IUPAC4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine
SMILESCCOC1CCCN(S(=O)(=O)c2cn[nH]c2N)C1
InChIInChI=1S/C10H18N4O3S/c1-2-17-8-4-3-5-14(7-8)18(15,16)9-6-12-13-10(9)11/h6,8H,2-5,7H2,1H3,(H3,11,12,13)
InChIKeyONMLRKHFSWQFRZ-UHFFFAOYSA-N
MW274.35 g/mol
LogP0.18
Rot. Bonds4

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

4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine (PubChem CID 54984990) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine
PubChem CID54984990
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine
SMILESCCOC1CCCN(S(=O)(=O)c2cn[nH]c2N)C1
InChIInChI=1S/C10H18N4O3S/c1-2-17-8-4-3-5-14(7-8)18(15,16)9-6-12-13-10(9)11/h6,8H,2-5,7H2,1H3,(H3,11,12,13)
InChIKeyONMLRKHFSWQFRZ-UHFFFAOYSA-N
XLogP0.18
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine (CID 54984990) is 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine is CCOC1CCCN(S(=O)(=O)c2cn[nH]c2N)C1.
What is the InChIKey of 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine?
The InChIKey is ONMLRKHFSWQFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-2-17-8-4-3-5-14(7-8)18(15,16)9-6-12-13-10(9)11/h6,8H,2-5,7H2,1H3,(H3,11,12,13).
What are the key properties of 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine?
4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine has a molecular weight of 274.35 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypiperidin-1-yl)sulfonyl-1H-pyrazol-5-amine is sourced from PubChem (CID 54984990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).