3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C16H15F3N4O2 — CID 90638470

IUPAC3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)11-3-5-12(6-4-11)21-15(24)23-9-7-13(10-23)25-14-2-1-8-20-22-14/h1-6,8,13H,7,9-10H2,(H,21,24)
InChIKeyHSGLJLKWOZMJOC-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.18
Rot. Bonds3

About 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 90638470) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID90638470
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)11-3-5-12(6-4-11)21-15(24)23-9-7-13(10-23)25-14-2-1-8-20-22-14/h1-6,8,13H,7,9-10H2,(H,21,24)
InChIKeyHSGLJLKWOZMJOC-UHFFFAOYSA-N
XLogP3.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 159511918
N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
3-pyridin-4-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122255985
N-cycloheptyl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638486
N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559382
(3R)-N-(4-fluorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129416268
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
N-[4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)phenyl]acetamide
CID 71799336
4-phthalazin-1-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90560454
N-(2-methoxyethyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 91627281

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 90638470) is 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is HSGLJLKWOZMJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)11-3-5-12(6-4-11)21-15(24)23-9-7-13(10-23)25-14-2-1-8-20-22-14/h1-6,8,13H,7,9-10H2,(H,21,24).
What are the key properties of 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-yloxy-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 90638470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).