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

C28H25F3N4O2 — CID 155544511

IUPACN-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2cc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)c(N5CCOCC5)c4)c3)n[nH]2)cc1
InChIInChI=1S/C28H25F3N4O2/c1-18-5-7-19(8-6-18)24-17-25(34-33-24)20-3-2-4-22(15-20)32-27(36)21-9-10-23(28(29,30)31)26(16-21)35-11-13-37-14-12-35/h2-10,15-17H,11-14H2,1H3,(H,32,36)(H,33,34)
InChIKeyJEKPBRRCLQRVQR-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-4-(trifluoromethyl)benzamide

N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(trifluoromethyl)benzamide (PubChem CID 155544511) 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-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(trifluoromethyl)benzamide
PubChem CID155544511
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-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2cc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)c(N5CCOCC5)c4)c3)n[nH]2)cc1
InChIInChI=1S/C28H25F3N4O2/c1-18-5-7-19(8-6-18)24-17-25(34-33-24)20-3-2-4-22(15-20)32-27(36)21-9-10-23(28(29,30)31)26(16-21)35-11-13-37-14-12-35/h2-10,15-17H,11-14H2,1H3,(H,32,36)(H,33,34)
InChIKeyJEKPBRRCLQRVQR-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)-2'-[3-[(E)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486129
rel-(1R,2S)-2-(3-((1E)-2-(4-(4-Morpholinylmethyl)phenyl)ethenyl)-1H-indazol-6-yl)spiro(cyclopropane-1,3'-(3H)indol)-2'(1'H)-one
CID 58486169
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
(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

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(trifluoromethyl)benzamide (CID 155544511) is N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(trifluoromethyl)benzamide is Cc1ccc(-c2cc(-c3cccc(NC(=O)c4ccc(C(F)(F)F)c(N5CCOCC5)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-4-(trifluoromethyl)benzamide?
The InChIKey is JEKPBRRCLQRVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N4O2/c1-18-5-7-19(8-6-18)24-17-25(34-33-24)20-3-2-4-22(15-20)32-27(36)21-9-10-23(28(29,30)31)26(16-21)35-11-13-37-14-12-35/h2-10,15-17H,11-14H2,1H3,(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-4-(trifluoromethyl)benzamide?
N-[3-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenyl]-3-morpholin-4-yl-4-(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-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 155544511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).