N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide

C13H16N4O2S — CID 71807961

IUPACN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccccn2)n1)C1CC1
InChIInChI=1S/C13H16N4O2S/c18-20(19,11-4-5-11)15-8-10-17-9-6-13(16-17)12-3-1-2-7-14-12/h1-3,6-7,9,11,15H,4-5,8,10H2
InChIKeyYBRQUTAEXSKKDW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.03
Rot. Bonds6

About N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide

N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide (PubChem CID 71807961) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
PubChem CID71807961
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccccn2)n1)C1CC1
InChIInChI=1S/C13H16N4O2S/c18-20(19,11-4-5-11)15-8-10-17-9-6-13(16-17)12-3-1-2-7-14-12/h1-3,6-7,9,11,15H,4-5,8,10H2
InChIKeyYBRQUTAEXSKKDW-UHFFFAOYSA-N
XLogP1.03
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide (CID 71807961) is N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide is O=S(=O)(NCCn1ccc(-c2ccccn2)n1)C1CC1.
What is the InChIKey of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
The InChIKey is YBRQUTAEXSKKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c18-20(19,11-4-5-11)15-8-10-17-9-6-13(16-17)12-3-1-2-7-14-12/h1-3,6-7,9,11,15H,4-5,8,10H2.
What are the key properties of N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide?
N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 71807961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).