1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide

C19H14ClF3N4O2 — CID 137155353

IUPAC1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(=NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccccc1O
InChIInChI=1S/C19H14ClF3N4O2/c1-11(14-4-2-3-5-16(14)28)25-26-18(29)15-10-24-27(17(15)19(21,22)23)13-8-6-12(20)7-9-13/h2-10,28H,1H3,(H,26,29)
InChIKeyWFYBWAJDGCITLN-UHFFFAOYSA-N
MW422.79 g/mol
LogP4.40
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 137155353) has the molecular formula C19H14ClF3N4O2 and a molecular weight of 422.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID137155353
Molecular FormulaC19H14ClF3N4O2
Molecular Weight422.79 g/mol
Exact Mass422.08
IUPAC Name1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC(=NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccccc1O
InChIInChI=1S/C19H14ClF3N4O2/c1-11(14-4-2-3-5-16(14)28)25-26-18(29)15-10-24-27(17(15)19(21,22)23)13-8-6-12(20)7-9-13/h2-10,28H,1H3,(H,26,29)
InChIKeyWFYBWAJDGCITLN-UHFFFAOYSA-N
XLogP4.40
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.79
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chlorophenyl)-1H-pyrazol-4-yl](2-hydroxyphenyl)methanone
CID 1481828
5-chloro-N'-(2-hydroxybenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 8180364
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 6906088
1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 155533083
N-(3-amino-5-chlorophenyl)-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146167536
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 50904512
N-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 2456699
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46654377
1-(4-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90841031
1-(4-chlorophenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90894991
1-(4-chlorophenyl)-N-(3-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90945322
N-[2-(4-hydroxyphenyl)ethyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91281685

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 137155353) is 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide is CC(=NNC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccccc1O.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is WFYBWAJDGCITLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N4O2/c1-11(14-4-2-3-5-16(14)28)25-26-18(29)15-10-24-27(17(15)19(21,22)23)13-8-6-12(20)7-9-13/h2-10,28H,1H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 422.79 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(2-hydroxyphenyl)ethylideneamino]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 137155353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).