N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide

C15H15N5O3S — CID 166234786

IUPACN-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnn(-c3cc(C)ccn3)c2)cn1
InChIInChI=1S/C15H15N5O3S/c1-11-5-6-16-14(7-11)20-10-13(9-18-20)24(21,22)19-12-3-4-15(23-2)17-8-12/h3-10,19H,1-2H3
InChIKeyLYAAURWXJNZTKB-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.78
Rot. Bonds5

About N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide

N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 166234786) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide
PubChem CID166234786
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC NameN-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnn(-c3cc(C)ccn3)c2)cn1
InChIInChI=1S/C15H15N5O3S/c1-11-5-6-16-14(7-11)20-10-13(9-18-20)24(21,22)19-12-3-4-15(23-2)17-8-12/h3-10,19H,1-2H3
InChIKeyLYAAURWXJNZTKB-UHFFFAOYSA-N
XLogP1.78
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide (CID 166234786) is N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cnn(-c3cc(C)ccn3)c2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is LYAAURWXJNZTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-11-5-6-16-14(7-11)20-10-13(9-18-20)24(21,22)19-12-3-4-15(23-2)17-8-12/h3-10,19H,1-2H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 345.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-1-(4-methyl-2-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 166234786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).