1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline

C48H52F6N8O5 — CID 159061916

IUPAC1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline
SMILESNc1cccc(C(F)(F)F)c1.O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nn1CCCN1CCOCC1.O=C(O)c1cc(-c2ccccc2)nn1CCCN1CCOCC1
InChIInChI=1S/C24H25F3N4O2.C17H21N3O3.C7H6F3N/c25-24(26,27)19-8-4-9-20(16-19)28-23(32)22-17-21(18-6-2-1-3-7-18)29-31(22)11-5-10-30-12-14-33-15-13-30;21-17(22)16-13-15(14-5-2-1-3-6-14)18-20(16)8-4-7-19-9-11-23-12-10-19;8-7(9,10)5-2-1-3-6(11)4-5/h1-4,6-9,16-17H,5,10-15H2,(H,28,32);1-3,5-6,13H,4,7-12H2,(H,21,22);1-4H,11H2
InChIKeyJYORAYMFKGWNGE-UHFFFAOYSA-N
MW934.98 g/mol
LogP8.80
Rot. Bonds13

About 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline

1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline (PubChem CID 159061916) has the molecular formula C48H52F6N8O5 and a molecular weight of 934.98 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline
PubChem CID159061916
Molecular FormulaC48H52F6N8O5
Molecular Weight934.98 g/mol
Exact Mass934.40
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline
SMILESNc1cccc(C(F)(F)F)c1.O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nn1CCCN1CCOCC1.O=C(O)c1cc(-c2ccccc2)nn1CCCN1CCOCC1
InChIInChI=1S/C24H25F3N4O2.C17H21N3O3.C7H6F3N/c25-24(26,27)19-8-4-9-20(16-19)28-23(32)22-17-21(18-6-2-1-3-7-18)29-31(22)11-5-10-30-12-14-33-15-13-30;21-17(22)16-13-15(14-5-2-1-3-6-14)18-20(16)8-4-7-19-9-11-23-12-10-19;8-7(9,10)5-2-1-3-6(11)4-5/h1-4,6-9,16-17H,5,10-15H2,(H,28,32);1-3,5-6,13H,4,7-12H2,(H,21,22);1-4H,11H2
InChIKeyJYORAYMFKGWNGE-UHFFFAOYSA-N
XLogP8.80
TPSA153.00 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500934.98
LogP ≤ 58.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline 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

Ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate
CID 46094164
Ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 46094170
Ethyl 5-[3-(1,3-dimethyl-1H-pyrazole-5-amido)phenyl]-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate
CID 46094413
Ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxylate
CID 132463561
[(3R)-1-[2-[(2,5-dimethylpyrazole-3-carbonyl)amino]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate;2,2,2-trifluoroacetate
CID 68802158
5-[5-[(3-Fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-1-methylpyrazole-3-carboxylic acid
CID 69500200
3-[5-[(3-Fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-1-methylpyrazole-5-carboxylic acid
CID 69502694
N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[hydroxy-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 123222520
N,N-dibutyl-1-[4-[[1-(4-fluorophenyl)-3-phenylpyrazole-5-carbonyl]amino]-2-[hydroxy-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 145599912
1-(2-Morpholin-4-ylethyl)-6-[3-[[3-morpholin-4-yl-5-(trifluoromethyl)benzoyl]amino]phenyl]indazole-3-carboxylic acid
CID 151242282
6-[2-Methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1-(2-morpholin-4-ylethyl)indazole-3-carboxylic acid
CID 151957409
1-(2-Morpholin-4-ylethyl)-6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]indazole-3-carboxylic acid
CID 152215660

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline (CID 159061916) is 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline is Nc1cccc(C(F)(F)F)c1.O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nn1CCCN1CCOCC1.O=C(O)c1cc(-c2ccccc2)nn1CCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline?
The InChIKey is JYORAYMFKGWNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2.C17H21N3O3.C7H6F3N/c25-24(26,27)19-8-4-9-20(16-19)28-23(32)22-17-21(18-6-2-1-3-7-18)29-31(22)11-5-10-30-12-14-33-15-13-30;21-17(22)16-13-15(14-5-2-1-3-6-14)18-20(16)8-4-7-19-9-11-23-12-10-19;8-7(9,10)5-2-1-3-6(11)4-5/h1-4,6-9,16-17H,5,10-15H2,(H,28,32);1-3,5-6,13H,4,7-12H2,(H,21,22);1-4H,11H2.
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline?
1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline has a molecular weight of 934.98 g/mol, XLogP of 8.80, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-phenylpyrazole-5-carboxylic acid;1-(3-morpholin-4-ylpropyl)-3-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxamide;3-(trifluoromethyl)aniline is sourced from PubChem (CID 159061916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).