N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide

C18H17N7O2S — CID 122246650

IUPACN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCn1cc(-c2nccnc2CNS(=O)(=O)c2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C18H17N7O2S/c1-24-13-14(11-22-24)18-17(19-8-9-20-18)12-23-28(26,27)16-5-3-15(4-6-16)25-10-2-7-21-25/h2-11,13,23H,12H2,1H3
InChIKeyWOGHVIPWQOUTJZ-UHFFFAOYSA-N
MW395.45 g/mol
LogP1.54
Rot. Bonds6

About N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 122246650) has the molecular formula C18H17N7O2S and a molecular weight of 395.45 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID122246650
Molecular FormulaC18H17N7O2S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESCn1cc(-c2nccnc2CNS(=O)(=O)c2ccc(-n3cccn3)cc2)cn1
InChIInChI=1S/C18H17N7O2S/c1-24-13-14(11-22-24)18-17(19-8-9-20-18)12-23-28(26,27)16-5-3-15(4-6-16)25-10-2-7-21-25/h2-11,13,23H,12H2,1H3
InChIKeyWOGHVIPWQOUTJZ-UHFFFAOYSA-N
XLogP1.54
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 122246650) is N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide is Cn1cc(-c2nccnc2CNS(=O)(=O)c2ccc(-n3cccn3)cc2)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is WOGHVIPWQOUTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O2S/c1-24-13-14(11-22-24)18-17(19-8-9-20-18)12-23-28(26,27)16-5-3-15(4-6-16)25-10-2-7-21-25/h2-11,13,23H,12H2,1H3.
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 395.45 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 122246650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).