2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide

C16H12F3N5O3 — CID 71799683

IUPAC2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(-n2cccn2)nn1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3N5O3/c17-16(18,19)27-12-4-2-11(3-5-12)21-14(25)10-26-15-7-6-13(22-23-15)24-9-1-8-20-24/h1-9H,10H2,(H,21,25)
InChIKeyAFRSQZGSNJLDQI-UHFFFAOYSA-N
MW379.30 g/mol
LogP2.58
Rot. Bonds6

About 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 71799683) has the molecular formula C16H12F3N5O3 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID71799683
Molecular FormulaC16H12F3N5O3
Molecular Weight379.30 g/mol
Exact Mass379.09
IUPAC Name2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(COc1ccc(-n2cccn2)nn1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3N5O3/c17-16(18,19)27-12-4-2-11(3-5-12)21-14(25)10-26-15-7-6-13(22-23-15)24-9-1-8-20-24/h1-9H,10H2,(H,21,25)
InChIKeyAFRSQZGSNJLDQI-UHFFFAOYSA-N
XLogP2.58
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522398
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-2-(6-pyrazol-1-ylpyridazin-3-yl)oxyacetamide
CID 71799686
3-cyclopentyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304794
2-(4-fluorophenoxy)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 38416896
3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
2-[(E)-[amino-(2-piperidin-1-yl-4-pyridinyl)methylidene]amino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 47079156
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
(3R)-3-pyrazol-1-yl-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 92708068
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
2-naphthalen-2-yloxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1370829

Frequently Asked Questions

What is the IUPAC name of 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 71799683) is 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(COc1ccc(-n2cccn2)nn1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is AFRSQZGSNJLDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O3/c17-16(18,19)27-12-4-2-11(3-5-12)21-14(25)10-26-15-7-6-13(22-23-15)24-9-1-8-20-24/h1-9H,10H2,(H,21,25).
What are the key properties of 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 379.30 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-pyrazol-1-ylpyridazin-3-yl)oxy-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 71799683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).