N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H11Cl2F3N4O — CID 175215299

IUPACN-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H11Cl2F3N4O/c19-12-7-6-11(15(20)8-12)9-24-26-17(28)14-10-25-27(16(14)18(21,22)23)13-4-2-1-3-5-13/h1-10H,(H,26,28)
InChIKeyIKZGWZVFIAVLTO-UHFFFAOYSA-N
MW427.21 g/mol
LogP4.96
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 175215299) has the molecular formula C18H11Cl2F3N4O and a molecular weight of 427.21 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID175215299
Molecular FormulaC18H11Cl2F3N4O
Molecular Weight427.21 g/mol
Exact Mass426.03
IUPAC NameN-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H11Cl2F3N4O/c19-12-7-6-11(15(20)8-12)9-24-26-17(28)14-10-25-27(16(14)18(21,22)23)13-4-2-1-3-5-13/h1-10H,(H,26,28)
InChIKeyIKZGWZVFIAVLTO-UHFFFAOYSA-N
XLogP4.96
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.21
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-[(4,6-dichloro-2H-thiochromen-3-yl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 3960977
1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 5028202
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
CID 2809341
1-(4-chlorophenyl)-N-[(3-chlorophenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18226723
2,5-dichloro-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]benzamide
CID 8980280
S-(4-chlorophenyl) 1-phenyl-5-(trifluoromethyl)pyrazole-4-carbothioate
CID 2807996
1-(3-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46642923
1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
1-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90928285

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 175215299) is N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NN=Cc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IKZGWZVFIAVLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2F3N4O/c19-12-7-6-11(15(20)8-12)9-24-26-17(28)14-10-25-27(16(14)18(21,22)23)13-4-2-1-3-5-13/h1-10H,(H,26,28).
What are the key properties of N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 427.21 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175215299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).