[4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone

C21H19F3N4O2 — CID 44763163

IUPAC[4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H19F3N4O2/c22-21(23,24)16-3-1-2-15(12-16)18-13-19(25)28(26-18)17-6-4-14(5-7-17)20(29)27-8-10-30-11-9-27/h1-7,12-13H,8-11,25H2
InChIKeyJTTIDUBUMMTXOH-UHFFFAOYSA-N
MW416.40 g/mol
LogP3.61
Rot. Bonds3

About [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone

[4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 44763163) has the molecular formula C21H19F3N4O2 and a molecular weight of 416.40 g/mol. Its IUPAC name is [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID44763163
Molecular FormulaC21H19F3N4O2
Molecular Weight416.40 g/mol
Exact Mass416.15
IUPAC Name[4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C21H19F3N4O2/c22-21(23,24)16-3-1-2-15(12-16)18-13-19(25)28(26-18)17-6-4-14(5-7-17)20(29)27-8-10-30-11-9-27/h1-7,12-13H,8-11,25H2
InChIKeyJTTIDUBUMMTXOH-UHFFFAOYSA-N
XLogP3.61
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone 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-(4-morpholinylcarbonyl)phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 1316629
5-Amino-1-(4-fluorophenyl)-4-[3-(3-morpholin-4-ylpropyl)benzoyl]pyrazole
CID 11640131
3-trifluoromethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11675856
US12409171, Name RG-0014057
CID 155424448
4-(3,5-dimethylpyrazol-1-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 2558643
N-(4-acetylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 16026957
N-(2,4-Difluorophenyl)-3-{3,5-dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16026995
3-[3,5-dimethyl-1-(6-morpholino-3-pyridazinyl)-1H-pyrazol-4-yl]-N-(4-fluorobenzyl)propanamide
CID 16027026
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(3-fluoro-4-methylphenyl)propanamide
CID 16027044
N-(4-Acetylphenyl)-3-{3,5-dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16027052
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(4-ethylphenyl)propanamide
CID 20946967
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(3,5-dimethylphenyl)propanamide
CID 20946983

Frequently Asked Questions

What is the IUPAC name of [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone (CID 44763163) is [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone is Nc1cc(-c2cccc(C(F)(F)F)c2)nn1-c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JTTIDUBUMMTXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O2/c22-21(23,24)16-3-1-2-15(12-16)18-13-19(25)28(26-18)17-6-4-14(5-7-17)20(29)27-8-10-30-11-9-27/h1-7,12-13H,8-11,25H2.
What are the key properties of [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone?
[4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 416.40 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 44763163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).