N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

C28H25F3N4O2 — CID 155514548

IUPACN-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)n[nH]2)cc1
InChIInChI=1S/C28H25F3N4O2/c1-18-5-7-19(8-6-18)25-17-26(34-33-25)20-3-2-4-23(14-20)32-27(36)21-13-22(28(29,30)31)16-24(15-21)35-9-11-37-12-10-35/h2-8,13-17H,9-12H2,1H3,(H,32,36)(H,33,34)
InChIKeyHTQQSCGZIXRWPW-UHFFFAOYSA-N
MW506.53 g/mol
LogP6.16
Rot. Bonds5

About N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 155514548) has the molecular formula C28H25F3N4O2 and a molecular weight of 506.53 g/mol. Its IUPAC name is N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID155514548
Molecular FormulaC28H25F3N4O2
Molecular Weight506.53 g/mol
Exact Mass506.19
IUPAC NameN-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)n[nH]2)cc1
InChIInChI=1S/C28H25F3N4O2/c1-18-5-7-19(8-6-18)25-17-26(34-33-25)20-3-2-4-23(14-20)32-27(36)21-13-22(28(29,30)31)16-24(15-21)35-9-11-37-12-10-35/h2-8,13-17H,9-12H2,1H3,(H,32,36)(H,33,34)
InChIKeyHTQQSCGZIXRWPW-UHFFFAOYSA-N
XLogP6.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2'S,3R)-5-methyl-2'-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486171
(2'S,3R)-5-fluoro-2'-[3-[(E)-2-[4-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486191
(2'S,3R)-2'-[3-[(E)-2-[3-(morpholin-4-ylmethyl)phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486294
N-[cyclopropyl(phenyl)methyl]-3-(4-morpholin-4-ylphenyl)-1H-indazole-5-carboxamide
CID 89509657
N-(cyclopropyl(phenyl)methyl)-3-(3-morpholinophenyl)-1H-indazole-5-carboxamide
CID 89509697
N-[3-[2-(3-amino-1H-indazol-4-yl)ethynyl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 155386697
3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 155386698
3-[2-(3-amino-1H-indazol-4-yl)ethynyl]-N-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 155400359
3-(1H-indazol-5-yl)-4-methyl-N-(3-morpholinophenyl)benzamide
CID 44580731
8-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-N-(4-morpholin-4-ylphenyl)-4-oxo-1H-quinoline-2-carboxamide
CID 46232642
N-isopropyl-3-(5-{4-[(2-methoxyethylamino)methyl]phenyl}-1H-pyrazol-3-yl)benzamide
CID 53322862
3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 155516442

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (CID 155514548) is N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is Cc1ccc(-c2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)n[nH]2)cc1.
What is the InChIKey of N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is HTQQSCGZIXRWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O2/c1-18-5-7-19(8-6-18)25-17-26(34-33-25)20-3-2-4-23(14-20)32-27(36)21-13-22(28(29,30)31)16-24(15-21)35-9-11-37-12-10-35/h2-8,13-17H,9-12H2,1H3,(H,32,36)(H,33,34).
What are the key properties of N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 506.53 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 155514548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).