4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one

C19H14ClF3N4O2 — CID 110512603

IUPAC4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
SMILESCOc1ccc(-n2ncc(N/N=C\c3cccc(C(F)(F)F)c3)c(Cl)c2=O)cc1
InChIInChI=1S/C19H14ClF3N4O2/c1-29-15-7-5-14(6-8-15)27-18(28)17(20)16(11-25-27)26-24-10-12-3-2-4-13(9-12)19(21,22)23/h2-11,26H,1H3/b24-10-
InChIKeyOKGHCAKJDPSOFH-VROXFSQNSA-N
MW422.79 g/mol
LogP4.36
Rot. Bonds5

About 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one

4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one (PubChem CID 110512603) has the molecular formula C19H14ClF3N4O2 and a molecular weight of 422.79 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
PubChem CID110512603
Molecular FormulaC19H14ClF3N4O2
Molecular Weight422.79 g/mol
Exact Mass422.08
IUPAC Name4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one
SMILESCOc1ccc(-n2ncc(N/N=C\c3cccc(C(F)(F)F)c3)c(Cl)c2=O)cc1
InChIInChI=1S/C19H14ClF3N4O2/c1-29-15-7-5-14(6-8-15)27-18(28)17(20)16(11-25-27)26-24-10-12-3-2-4-13(9-12)19(21,22)23/h2-11,26H,1H3/b24-10-
InChIKeyOKGHCAKJDPSOFH-VROXFSQNSA-N
XLogP4.36
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one (CID 110512603) is 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one is COc1ccc(-n2ncc(N/N=C\c3cccc(C(F)(F)F)c3)c(Cl)c2=O)cc1.
What is the InChIKey of 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one?
The InChIKey is OKGHCAKJDPSOFH-VROXFSQNSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2/c1-29-15-7-5-14(6-8-15)27-18(28)17(20)16(11-25-27)26-24-10-12-3-2-4-13(9-12)19(21,22)23/h2-11,26H,1H3/b24-10-.
What are the key properties of 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one?
4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one has a molecular weight of 422.79 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxyphenyl)-5-[(2Z)-2-[[3-(trifluoromethyl)phenyl]methylidene]hydrazinyl]pyridazin-3-one is sourced from PubChem (CID 110512603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).