N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide

C16H13F2N5O2 — CID 90517462

IUPACN-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C16H13F2N5O2/c1-10(16(25)20-11-3-4-12(17)13(18)9-11)23-15(24)6-5-14(21-23)22-8-2-7-19-22/h2-10H,1H3,(H,20,25)
InChIKeyXBQLZQUUUNSHLF-UHFFFAOYSA-N
MW345.31 g/mol
LogP1.91
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide

N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (PubChem CID 90517462) has the molecular formula C16H13F2N5O2 and a molecular weight of 345.31 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
PubChem CID90517462
Molecular FormulaC16H13F2N5O2
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC NameN-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(F)c1)n1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C16H13F2N5O2/c1-10(16(25)20-11-3-4-12(17)13(18)9-11)23-15(24)6-5-14(21-23)22-8-2-7-19-22/h2-10H,1H3,(H,20,25)
InChIKeyXBQLZQUUUNSHLF-UHFFFAOYSA-N
XLogP1.91
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 90517531
N-(4-ethoxyphenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517503
ethyl 4-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanoylamino]benzoate
CID 90517480
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 90517675
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
CID 121079689
N-(4-chlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079706
2-[1-[4-(2-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517442
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 121149372
N-(3,4-difluorophenyl)-4-pyrazol-1-ylbenzamide
CID 17426566
N-(3,5-dichlorophenyl)-2-(6-oxopyridazin-1-yl)propanamide
CID 121079717
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-pyridin-3-ylpropanamide
CID 90517905
N-(3,5-dichlorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]propanamide
CID 90517965

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide (CID 90517462) is N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is CC(C(=O)Nc1ccc(F)c(F)c1)n1nc(-n2cccn2)ccc1=O.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
The InChIKey is XBQLZQUUUNSHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2/c1-10(16(25)20-11-3-4-12(17)13(18)9-11)23-15(24)6-5-14(21-23)22-8-2-7-19-22/h2-10H,1H3,(H,20,25).
What are the key properties of N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide?
N-(3,4-difluorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide has a molecular weight of 345.31 g/mol, XLogP of 1.91, 4 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-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 90517462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).