N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C17H20F3N5O2 — CID 135558338

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(O)c1
InChIInChI=1S/C17H20F3N5O2/c1-3-24(4-2)13-6-5-12(14(26)9-13)10-21-22-16(27)11-25-8-7-15(23-25)17(18,19)20/h5-10,26H,3-4,11H2,1-2H3,(H,22,27)/b21-10+
InChIKeyWZXSPYNBQPCNSK-UFFVCSGVSA-N
MW383.37 g/mol
LogP2.60
Rot. Bonds7

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 135558338) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID135558338
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(O)c1
InChIInChI=1S/C17H20F3N5O2/c1-3-24(4-2)13-6-5-12(14(26)9-13)10-21-22-16(27)11-25-8-7-15(23-25)17(18,19)20/h5-10,26H,3-4,11H2,1-2H3,(H,22,27)/b21-10+
InChIKeyWZXSPYNBQPCNSK-UFFVCSGVSA-N
XLogP2.60
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 135558338) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCN(CC)c1ccc(/C=N/NC(=O)Cn2ccc(C(F)(F)F)n2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is WZXSPYNBQPCNSK-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-3-24(4-2)13-6-5-12(14(26)9-13)10-21-22-16(27)11-25-8-7-15(23-25)17(18,19)20/h5-10,26H,3-4,11H2,1-2H3,(H,22,27)/b21-10+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 383.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 135558338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).