N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide

C23H23N5O3S — CID 46701025

IUPACN-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccn3)c2=O)nc1
InChIInChI=1S/C23H23N5O3S/c1-3-27(19-10-5-4-6-11-19)32(30,31)20-12-13-22(25-16-20)28-23(29)21(17(2)26-28)15-18-9-7-8-14-24-18/h4-14,16,26H,3,15H2,1-2H3
InChIKeyXDPCUYFJKJUGGN-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.07
Rot. Bonds7

About N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide

N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide (PubChem CID 46701025) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
PubChem CID46701025
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccn3)c2=O)nc1
InChIInChI=1S/C23H23N5O3S/c1-3-27(19-10-5-4-6-11-19)32(30,31)20-12-13-22(25-16-20)28-23(29)21(17(2)26-28)15-18-9-7-8-14-24-18/h4-14,16,26H,3,15H2,1-2H3
InChIKeyXDPCUYFJKJUGGN-UHFFFAOYSA-N
XLogP3.07
TPSA100.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide?
The IUPAC name of N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide (CID 46701025) is N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(-n2[nH]c(C)c(Cc3ccccn3)c2=O)nc1.
What is the InChIKey of N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide?
The InChIKey is XDPCUYFJKJUGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-3-27(19-10-5-4-6-11-19)32(30,31)20-12-13-22(25-16-20)28-23(29)21(17(2)26-28)15-18-9-7-8-14-24-18/h4-14,16,26H,3,15H2,1-2H3.
What are the key properties of N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide?
N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide has a molecular weight of 449.54 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[5-methyl-3-oxo-4-(pyridin-2-ylmethyl)-1H-pyrazol-2-yl]-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 46701025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).