N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide

C12H13N5O2S — CID 79503872

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCn1ncc(C#N)c1NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H13N5O2S/c1-17-12(11(8-13)9-15-17)16-20(18,19)7-4-10-2-5-14-6-3-10/h2-3,5-6,9,16H,4,7H2,1H3
InChIKeyWVWGBOCADMEDFP-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.67
Rot. Bonds5

About N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide (PubChem CID 79503872) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide
PubChem CID79503872
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide
SMILESCn1ncc(C#N)c1NS(=O)(=O)CCc1ccncc1
InChIInChI=1S/C12H13N5O2S/c1-17-12(11(8-13)9-15-17)16-20(18,19)7-4-10-2-5-14-6-3-10/h2-3,5-6,9,16H,4,7H2,1H3
InChIKeyWVWGBOCADMEDFP-UHFFFAOYSA-N
XLogP0.67
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide (CID 79503872) is N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide is Cn1ncc(C#N)c1NS(=O)(=O)CCc1ccncc1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide?
The InChIKey is WVWGBOCADMEDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c1-17-12(11(8-13)9-15-17)16-20(18,19)7-4-10-2-5-14-6-3-10/h2-3,5-6,9,16H,4,7H2,1H3.
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide has a molecular weight of 291.34 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 79503872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).