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

C17H13N5O4S — CID 156860293

IUPAC6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1
InChIInChI=1S/C17H13N5O4S/c1-27(25,26)21-16(23)13-6-7-15(19-9-13)22-17(24)14(10-20-22)12-4-2-11(8-18)3-5-12/h2-7,9-10,20H,1H3,(H,21,23)
InChIKeyIZNFGDRIKITCQZ-UHFFFAOYSA-N
MW383.39 g/mol
LogP0.79
Rot. Bonds4

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

6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide (PubChem CID 156860293) has the molecular formula C17H13N5O4S and a molecular weight of 383.39 g/mol. Its IUPAC name is 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide
PubChem CID156860293
Molecular FormulaC17H13N5O4S
Molecular Weight383.39 g/mol
Exact Mass383.07
IUPAC Name6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1
InChIInChI=1S/C17H13N5O4S/c1-27(25,26)21-16(23)13-6-7-15(19-9-13)22-17(24)14(10-20-22)12-4-2-11(8-18)3-5-12/h2-7,9-10,20H,1H3,(H,21,23)
InChIKeyIZNFGDRIKITCQZ-UHFFFAOYSA-N
XLogP0.79
TPSA137.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.39
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-cyano-2-hydroxyphenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 166173549
4-[3-oxo-2-(5-pyrazol-1-yl-2-pyridinyl)-1H-pyrazol-4-yl]benzonitrile
CID 156860318
4-cyano-N-methylsulfonylbenzamide
CID 47232721
6-[4-(2-chloro-4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-3-carboxylic acid
CID 163758952
6-[4-[4-(cyanomethyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-N-(5-methoxypentyl)pyridine-3-carboxamide
CID 172744078
N-[6-[4-(4-isocyanophenyl)-3-oxo-1H-pyrazol-2-yl]-3-pyridinyl]methanesulfonamide
CID 168831574
6-[4-(4-cyano-2-methylcyclohepta-1,3,5-trien-1-yl)-3-oxo-1H-pyrazol-2-yl]-N-ethylpyridine-3-carboxamide
CID 135129785
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 172861782
ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
CID 143687198
6-[4-[4-(cyanomethyl)phenyl]-3-oxo-1H-pyrazol-2-yl]-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 172740380
6-[4-(5-cyano-2-methylcyclohepta-1,4,6-trien-1-yl)-3-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 135129879
6-[4-(4-cyanophenyl)-5-oxo-1H-pyrazol-2-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 172825187

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide (CID 156860293) is 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide is CS(=O)(=O)NC(=O)c1ccc(-n2[nH]cc(-c3ccc(C#N)cc3)c2=O)nc1.
What is the InChIKey of 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide?
The InChIKey is IZNFGDRIKITCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O4S/c1-27(25,26)21-16(23)13-6-7-15(19-9-13)22-17(24)14(10-20-22)12-4-2-11(8-18)3-5-12/h2-7,9-10,20H,1H3,(H,21,23).
What are the key properties of 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide?
6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide has a molecular weight of 383.39 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-cyanophenyl)-3-oxo-1H-pyrazol-2-yl]-N-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 156860293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).