N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide

C19H20FN5O3 — CID 90538978

IUPACN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)COc3ccc(F)cc3)n2)n1
InChIInChI=1S/C19H20FN5O3/c1-13-11-14(2)25(22-13)17-7-8-19(27)24(23-17)10-9-21-18(26)12-28-16-5-3-15(20)4-6-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)
InChIKeyPCLIHHHDZNEQOG-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.38
Rot. Bonds7

About N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 90538978) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID90538978
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC NameN-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide
SMILESCc1cc(C)n(-c2ccc(=O)n(CCNC(=O)COc3ccc(F)cc3)n2)n1
InChIInChI=1S/C19H20FN5O3/c1-13-11-14(2)25(22-13)17-7-8-19(27)24(23-17)10-9-21-18(26)12-28-16-5-3-15(20)4-6-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,26)
InChIKeyPCLIHHHDZNEQOG-UHFFFAOYSA-N
XLogP1.38
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-phenylacetamide
CID 90538883
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-fluorophenoxy)acetamide
CID 122289605
2-(3,4-dimethylphenoxy)-N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 90538991
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 90539030
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenoxybenzamide
CID 90539115
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]cyclopropanecarboxamide
CID 90538881
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenoxy)propanamide
CID 90539005
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methylphenoxy)acetamide
CID 90516244
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 90517813
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 90517725
2-(4-chlorophenoxy)-N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]acetamide
CID 121078498
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 121058968

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide (CID 90538978) is N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide is Cc1cc(C)n(-c2ccc(=O)n(CCNC(=O)COc3ccc(F)cc3)n2)n1.
What is the InChIKey of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is PCLIHHHDZNEQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-13-11-14(2)25(22-13)17-7-8-19(27)24(23-17)10-9-21-18(26)12-28-16-5-3-15(20)4-6-16/h3-8,11H,9-10,12H2,1-2H3,(H,21,26).
What are the key properties of N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide?
N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 385.40 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 90538978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).