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

C20H17N5O2S — CID 7267767

IUPACN-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)NCc1ccco1
InChIInChI=1S/C20H17N5O2S/c26-19(21-13-17-3-1-12-27-17)14-28-20-9-8-18(23-24-20)15-4-6-16(7-5-15)25-11-2-10-22-25/h1-12H,13-14H2,(H,21,26)
InChIKeyHGQOCWOUIQCEDA-UHFFFAOYSA-N
MW391.46 g/mol
LogP3.33
Rot. Bonds7

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

N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7267767) has the molecular formula C20H17N5O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7267767
Molecular FormulaC20H17N5O2S
Molecular Weight391.46 g/mol
Exact Mass391.11
IUPAC NameN-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)NCc1ccco1
InChIInChI=1S/C20H17N5O2S/c26-19(21-13-17-3-1-12-27-17)14-28-20-9-8-18(23-24-20)15-4-6-16(7-5-15)25-11-2-10-22-25/h1-12H,13-14H2,(H,21,26)
InChIKeyHGQOCWOUIQCEDA-UHFFFAOYSA-N
XLogP3.33
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7267767) is N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(-n3cccn3)cc2)nn1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is HGQOCWOUIQCEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S/c26-19(21-13-17-3-1-12-27-17)14-28-20-9-8-18(23-24-20)15-4-6-16(7-5-15)25-11-2-10-22-25/h1-12H,13-14H2,(H,21,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 391.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7267767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).