N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H13F3N4O2 — CID 163212123

IUPACN-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)16-15(11-23-25(16)13-4-2-1-3-5-13)17(27)24-22-10-12-6-8-14(26)9-7-12/h1-11,26H,(H,24,27)
InChIKeyCSPNZESUICUFKN-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.36
Rot. Bonds4

About N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 163212123) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID163212123
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC NameN-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NN=Cc1ccc(O)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)16-15(11-23-25(16)13-4-2-1-3-5-13)17(27)24-22-10-12-6-8-14(26)9-7-12/h1-11,26H,(H,24,27)
InChIKeyCSPNZESUICUFKN-UHFFFAOYSA-N
XLogP3.36
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725456
5-tert-Butyl-2-phenyl-2H-pyrazole-3-carboxylic acid (4-hydroxy-benzylidene)-hydrazide
CID 135498037
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carbohydrazide
CID 135516997
N'-[(E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-hydroxybenzohydrazide
CID 6890194
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 6906088
N-(2-hydroxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25595919
(E)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 44569669
(E)-N-[(E)-benzylideneamino]-2-(4-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 44569670
1-(4-Hydroxyphenyl)-3-phenylpyrazole-4-carbaldehyde
CID 46906153
1-[1-(4-Hydroxyphenyl)-5-methylpyrazol-4-yl]butan-1-one
CID 118711198
(E)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 135960778
N-(3-amino-5-chlorophenyl)-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146167536

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 163212123) is N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NN=Cc1ccc(O)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CSPNZESUICUFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c19-18(20,21)16-15(11-23-25(16)13-4-2-1-3-5-13)17(27)24-22-10-12-6-8-14(26)9-7-12/h1-11,26H,(H,24,27).
What are the key properties of N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 163212123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).