N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

C21H15F2N5OS — CID 41006022

IUPACN-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H15F2N5OS/c22-17-7-4-15(12-18(17)23)25-20(29)13-30-21-9-8-19(26-27-21)14-2-5-16(6-3-14)28-11-1-10-24-28/h1-12H,13H2,(H,25,29)
InChIKeyUNWAUIFJTFXNNL-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.34
Rot. Bonds6

About N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 41006022) has the molecular formula C21H15F2N5OS and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID41006022
Molecular FormulaC21H15F2N5OS
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC NameN-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H15F2N5OS/c22-17-7-4-15(12-18(17)23)25-20(29)13-30-21-9-8-19(26-27-21)14-2-5-16(6-3-14)28-11-1-10-24-28/h1-12H,13H2,(H,25,29)
InChIKeyUNWAUIFJTFXNNL-UHFFFAOYSA-N
XLogP4.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 41006022) is N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is UNWAUIFJTFXNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5OS/c22-17-7-4-15(12-18(17)23)25-20(29)13-30-21-9-8-19(26-27-21)14-2-5-16(6-3-14)28-11-1-10-24-28/h1-12H,13H2,(H,25,29).
What are the key properties of N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 423.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 41006022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).