N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide

C14H10F5N3O2 — CID 84597509

IUPACN-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide
SMILESO=C(NC(c1ccccc1OC(F)F)C(F)(F)F)c1ccnnc1
InChIInChI=1S/C14H10F5N3O2/c15-13(16)24-10-4-2-1-3-9(10)11(14(17,18)19)22-12(23)8-5-6-20-21-7-8/h1-7,11,13H,(H,22,23)
InChIKeyGVKWGJLLMHCIJB-UHFFFAOYSA-N
MW347.24 g/mol
LogP3.11
Rot. Bonds5

About N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide

N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide (PubChem CID 84597509) has the molecular formula C14H10F5N3O2 and a molecular weight of 347.24 g/mol. Its IUPAC name is N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide
PubChem CID84597509
Molecular FormulaC14H10F5N3O2
Molecular Weight347.24 g/mol
Exact Mass347.07
IUPAC NameN-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide
SMILESO=C(NC(c1ccccc1OC(F)F)C(F)(F)F)c1ccnnc1
InChIInChI=1S/C14H10F5N3O2/c15-13(16)24-10-4-2-1-3-9(10)11(14(17,18)19)22-12(23)8-5-6-20-21-7-8/h1-7,11,13H,(H,22,23)
InChIKeyGVKWGJLLMHCIJB-UHFFFAOYSA-N
XLogP3.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S*)-(5-fluoro-2-methoxyphenyl)(trans-3-hydroxycyclobutyl)methyl]pyridazine-4-carboxamide
CID 91762542
N-[2-(2-fluorophenoxy)ethyl]pyridazine-4-carboxamide
CID 131899039
N-[(2,4-difluoro-6-methoxyphenyl)methyl]-N-(4-fluoro-2-methylphenyl)pyridazine-4-carboxamide
CID 25118641
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32050717
N-[(3S,4R)-3-phenyl-1-(pyridazine-4-carbonyl)piperidin-4-yl]-2-(trifluoromethoxy)benzamide
CID 134278781
5-(difluoromethyl)-N-[[4-fluoro-2-[(2S)-1,1,2,3,3,3-hexafluoropropoxy]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 134607242
N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155606933
3-[2-(Trifluoromethoxy)phenyl]pyridazine-4-carboxamide
CID 156360991
6-fluoro-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-3-methoxypyridazine-4-carboxamide
CID 166839545
3-(4-fluoro-2-methylphenoxy)-N-(3-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167198461
3-(4-fluoro-2-methylphenoxy)-N-(2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199371
3-(4-fluoro-2-methylphenoxy)-N-(5-methyl-2-oxo-1H-pyridin-4-yl)-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 167199375

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide?
The IUPAC name of N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide (CID 84597509) is N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide is O=C(NC(c1ccccc1OC(F)F)C(F)(F)F)c1ccnnc1.
What is the InChIKey of N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide?
The InChIKey is GVKWGJLLMHCIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N3O2/c15-13(16)24-10-4-2-1-3-9(10)11(14(17,18)19)22-12(23)8-5-6-20-21-7-8/h1-7,11,13H,(H,22,23).
What are the key properties of N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide?
N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide has a molecular weight of 347.24 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]pyridazine-4-carboxamide is sourced from PubChem (CID 84597509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).