3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide

C23H19ClFN5O2 — CID 56641888

IUPAC3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)nn3)n2)cc1
InChIInChI=1S/C23H19ClFN5O2/c1-32-19-9-6-17(7-10-19)26-23(31)13-8-18-14-20(15-2-4-16(25)5-3-15)30(29-18)22-12-11-21(24)27-28-22/h2-7,9-12,14H,8,13H2,1H3,(H,26,31)
InChIKeyZCSWXQWTOXQUHU-UHFFFAOYSA-N
MW451.89 g/mol
LogP4.70
Rot. Bonds7

About 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide

3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide (PubChem CID 56641888) has the molecular formula C23H19ClFN5O2 and a molecular weight of 451.89 g/mol. Its IUPAC name is 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide
PubChem CID56641888
Molecular FormulaC23H19ClFN5O2
Molecular Weight451.89 g/mol
Exact Mass451.12
IUPAC Name3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCc2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)nn3)n2)cc1
InChIInChI=1S/C23H19ClFN5O2/c1-32-19-9-6-17(7-10-19)26-23(31)13-8-18-14-20(15-2-4-16(25)5-3-15)30(29-18)22-12-11-21(24)27-28-22/h2-7,9-12,14H,8,13H2,1H3,(H,26,31)
InChIKeyZCSWXQWTOXQUHU-UHFFFAOYSA-N
XLogP4.70
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.89
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide (CID 56641888) is 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCc2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)nn3)n2)cc1.
What is the InChIKey of 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is ZCSWXQWTOXQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O2/c1-32-19-9-6-17(7-10-19)26-23(31)13-8-18-14-20(15-2-4-16(25)5-3-15)30(29-18)22-12-11-21(24)27-28-22/h2-7,9-12,14H,8,13H2,1H3,(H,26,31).
What are the key properties of 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide?
3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 451.89 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloropyridazin-3-yl)-5-(4-fluorophenyl)pyrazol-3-yl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 56641888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).