N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide

C22H18FN5O2 — CID 59370073

IUPACN-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1
InChIInChI=1S/C22H18FN5O2/c1-15(29)26(2)16-6-5-7-17(14-16)27-13-11-21(30)22(25-27)20-10-12-24-28(20)19-9-4-3-8-18(19)23/h3-14H,1-2H3
InChIKeyDVBQFVDPRLYZHO-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.21
Rot. Bonds4

About N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide

N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide (PubChem CID 59370073) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide
PubChem CID59370073
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1
InChIInChI=1S/C22H18FN5O2/c1-15(29)26(2)16-6-5-7-17(14-16)27-13-11-21(30)22(25-27)20-10-12-24-28(20)19-9-4-3-8-18(19)23/h3-14H,1-2H3
InChIKeyDVBQFVDPRLYZHO-UHFFFAOYSA-N
XLogP3.21
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide?
The IUPAC name of N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide (CID 59370073) is N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide is CC(=O)N(C)c1cccc(-n2ccc(=O)c(-c3ccnn3-c3ccccc3F)n2)c1.
What is the InChIKey of N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide?
The InChIKey is DVBQFVDPRLYZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-15(29)26(2)16-6-5-7-17(14-16)27-13-11-21(30)22(25-27)20-10-12-24-28(20)19-9-4-3-8-18(19)23/h3-14H,1-2H3.
What are the key properties of N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide?
N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide has a molecular weight of 403.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[2-(2-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]phenyl]-N-methylacetamide is sourced from PubChem (CID 59370073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).