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

C17H18F3N5O2 — CID 6902384

IUPACN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)15-5-6-25(23-15)12-16(26)22-21-11-13-1-3-14(4-2-13)24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,26)/b21-11+
InChIKeyHIYKXPSWUCKZAM-SRZZPIQSSA-N
MW381.36 g/mol
LogP1.89
Rot. Bonds5

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

N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 6902384) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID6902384
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC NameN-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C17H18F3N5O2/c18-17(19,20)15-5-6-25(23-15)12-16(26)22-21-11-13-1-3-14(4-2-13)24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,26)/b21-11+
InChIKeyHIYKXPSWUCKZAM-SRZZPIQSSA-N
XLogP1.89
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 51.89
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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Related Compounds

N-hydroxy-5-(1-(4-morpholinobenzyl)-1H-pyrazol-3-yl)pentanamide
CID 72195461
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CID 126568459
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-[4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyridin-3-yl]prop-2-enamide
CID 126568853
Ethyl 2-[3-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]acetate
CID 135371771
Ethyl 2-[5-methyl-4-[2-[4-(trifluoromethyl)anilino]phenyl]pyrazol-1-yl]acetate
CID 135372204
N-[2-(3-phenylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 155513256
N-(4-morpholinophenyl)-2-(1H-pyrazol-1-yl)acetamide
CID 39724022
N-[(E)-1-(4-morpholin-4-ylphenyl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9620930
N-[1-(2-fluorobenzyl)-3-piperidinyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 45248797
1-(2-Morpholin-4-ylethyl)-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 45829801
N-[(4-fluorophenyl)methyl]-N-methyl-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53557621
N-[2-(4-fluorophenyl)ethyl]-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53557673

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 6902384) is N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is HIYKXPSWUCKZAM-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c18-17(19,20)15-5-6-25(23-15)12-16(26)22-21-11-13-1-3-14(4-2-13)24-7-9-27-10-8-24/h1-6,11H,7-10,12H2,(H,22,26)/b21-11+.
What are the key properties of N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 381.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 6902384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).