N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H16F3N3O4 — CID 49089770

IUPACN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCC(O)c2ccc(OC(F)(F)F)cc2)CCC1=O
InChIInChI=1S/C15H16F3N3O4/c1-21-13(23)7-6-11(20-21)14(24)19-8-12(22)9-2-4-10(5-3-9)25-15(16,17)18/h2-5,12,22H,6-8H2,1H3,(H,19,24)
InChIKeyKZWWJLXWXGBALQ-UHFFFAOYSA-N
MW359.30 g/mol
LogP1.34
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 49089770) has the molecular formula C15H16F3N3O4 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID49089770
Molecular FormulaC15H16F3N3O4
Molecular Weight359.30 g/mol
Exact Mass359.11
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCC(O)c2ccc(OC(F)(F)F)cc2)CCC1=O
InChIInChI=1S/C15H16F3N3O4/c1-21-13(23)7-6-11(20-21)14(24)19-8-12(22)9-2-4-10(5-3-9)25-15(16,17)18/h2-5,12,22H,6-8H2,1H3,(H,19,24)
InChIKeyKZWWJLXWXGBALQ-UHFFFAOYSA-N
XLogP1.34
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 49089783
N-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 99853223
2-(4-bromophenyl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 49089872
1-[(2S)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 94744564
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 47086910
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 49089493
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(methanesulfonamido)benzamide
CID 49089748
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 71685389
1-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 48953077
1-[(2R)-2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-3-(1H-pyrazol-4-yl)urea
CID 94773819
ethyl 3-hydroxy-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 62393974

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 49089770) is N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCC(O)c2ccc(OC(F)(F)F)cc2)CCC1=O.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is KZWWJLXWXGBALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O4/c1-21-13(23)7-6-11(20-21)14(24)19-8-12(22)9-2-4-10(5-3-9)25-15(16,17)18/h2-5,12,22H,6-8H2,1H3,(H,19,24).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 49089770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).