4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide

C15H14F3N3O3 — CID 166396500

IUPAC4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide
SMILESCC(NC(=O)c1c[nH]ncc1=O)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O3/c1-9(21-14(23)12-6-19-20-7-13(12)22)10-2-4-11(5-3-10)24-8-15(16,17)18/h2-7,9H,8H2,1H3,(H,19,22)(H,21,23)
InChIKeyRDFIZKAESHUAON-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.20
Rot. Bonds5

About 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide

4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide (PubChem CID 166396500) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide
PubChem CID166396500
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide
SMILESCC(NC(=O)c1c[nH]ncc1=O)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C15H14F3N3O3/c1-9(21-14(23)12-6-19-20-7-13(12)22)10-2-4-11(5-3-10)24-8-15(16,17)18/h2-7,9H,8H2,1H3,(H,19,22)(H,21,23)
InChIKeyRDFIZKAESHUAON-UHFFFAOYSA-N
XLogP2.20
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119303259
2-methyl-3-(methylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119748726
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
2-amino-2-(4-methylphenyl)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide
CID 120667813
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748696
1-(4-ethoxyphenyl)-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 60586866
2,2,2-trifluoroethyl N-[1-(4-ethoxyphenyl)ethyl]carbamate
CID 60705841
N-[1-(4-ethoxyphenyl)ethyl]-2H-triazole-4-carboxamide
CID 112732846
1-amino-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119303272
2-(cyclopropylmethylamino)-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119748722
2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174836817
N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 75303570

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The IUPAC name of 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide (CID 166396500) is 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The canonical SMILES for 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide is CC(NC(=O)c1c[nH]ncc1=O)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
The InChIKey is RDFIZKAESHUAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-9(21-14(23)12-6-19-20-7-13(12)22)10-2-4-11(5-3-10)24-8-15(16,17)18/h2-7,9H,8H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide?
4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 166396500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).