2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

C17H14F3N5O2 — CID 90517531

IUPAC2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C17H14F3N5O2/c1-11(16(27)22-13-5-2-4-12(10-13)17(18,19)20)25-15(26)7-6-14(23-25)24-9-3-8-21-24/h2-11H,1H3,(H,22,27)
InChIKeyKXRYQFDLAQRCLK-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.65
Rot. Bonds4

About 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide

2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 90517531) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID90517531
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C17H14F3N5O2/c1-11(16(27)22-13-5-2-4-12(10-13)17(18,19)20)25-15(26)7-6-14(23-25)24-9-3-8-21-24/h2-11H,1H3,(H,22,27)
InChIKeyKXRYQFDLAQRCLK-UHFFFAOYSA-N
XLogP2.65
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
CID 90517480
N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517503
2-(2,3-dihydroimidazo[1,2-a]imidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 154779267
N-[3,5-bis(trifluoromethyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
CID 121075835
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517675
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4905448
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
CID 121079689
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880845
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
2-[3-(3-cyanophenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 134475470

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide (CID 90517531) is 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is CC(C(=O)Nc1cccc(C(F)(F)F)c1)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KXRYQFDLAQRCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-11(16(27)22-13-5-2-4-12(10-13)17(18,19)20)25-15(26)7-6-14(23-25)24-9-3-8-21-24/h2-11H,1H3,(H,22,27).
What are the key properties of 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide?
2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 377.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 90517531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).