N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide

C17H15N5O3S — CID 156860307

IUPACN-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1
InChIInChI=1S/C17H15N5O3S/c1-2-26(24,25)21-14-7-8-16(19-10-14)22-17(23)15(11-20-22)13-5-3-12(9-18)4-6-13/h3-8,10-11,20-21H,2H2,1H3
InChIKeyZZLAHWZWGAILNI-UHFFFAOYSA-N
MW369.41 g/mol
LogP1.86
Rot. Bonds5

About N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide

N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide (PubChem CID 156860307) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide
PubChem CID156860307
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC NameN-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1
InChIInChI=1S/C17H15N5O3S/c1-2-26(24,25)21-14-7-8-16(19-10-14)22-17(23)15(11-20-22)13-5-3-12(9-18)4-6-13/h3-8,10-11,20-21H,2H2,1H3
InChIKeyZZLAHWZWGAILNI-UHFFFAOYSA-N
XLogP1.86
TPSA120.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Hydroxy-3-methyl-1-(pyridin-2-yl)-1h-pyrazol-4-yl)benzonitrile
CID 25097581
4-[2-(5-acetyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]benzonitrile
CID 135129723
N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]propanamide
CID 156860279
4-[2-(5-methylsulfonyl-2-pyridinyl)-3-oxo-1H-pyrazol-4-yl]benzonitrile
CID 156860285
4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile
CID 156860330
US10407409, Example 272
CID 117600258
US10407409, Example 80
CID 117600783
US10407409, Example 266
CID 117601075
US10407409, Example 74
CID 117601079
US10407409, Example 87
CID 117601109
US10407409, Example 269
CID 117601121
US10407409, Example 268
CID 117601259

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The IUPAC name of N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide (CID 156860307) is N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide.
What is the SMILES notation for N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The canonical SMILES for N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1.
What is the InChIKey of N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide?
The InChIKey is ZZLAHWZWGAILNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-2-26(24,25)21-14-7-8-16(19-10-14)22-17(23)15(11-20-22)13-5-3-12(9-18)4-6-13/h3-8,10-11,20-21H,2H2,1H3.
What are the key properties of N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide?
N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide has a molecular weight of 369.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]ethanesulfonamide is sourced from PubChem (CID 156860307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).