3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide

C24H25F3N4O2 — CID 155516442

IUPAC3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide
SMILESCC(C)c1cc(-c2cccc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)c2)n[nH]1
InChIInChI=1S/C24H25F3N4O2/c1-15(2)21-14-22(30-29-21)16-4-3-5-19(11-16)28-23(32)17-10-18(24(25,26)27)13-20(12-17)31-6-8-33-9-7-31/h3-5,10-15H,6-9H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyBCWVTWLWWRRFBY-UHFFFAOYSA-N
MW458.48 g/mol
LogP5.31
Rot. Bonds5

About 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide

3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 155516442) has the molecular formula C24H25F3N4O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide
PubChem CID155516442
Molecular FormulaC24H25F3N4O2
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC Name3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide
SMILESCC(C)c1cc(-c2cccc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)c2)n[nH]1
InChIInChI=1S/C24H25F3N4O2/c1-15(2)21-14-22(30-29-21)16-4-3-5-19(11-16)28-23(32)17-10-18(24(25,26)27)13-20(12-17)31-6-8-33-9-7-31/h3-5,10-15H,6-9H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyBCWVTWLWWRRFBY-UHFFFAOYSA-N
XLogP5.31
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
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N-isopropyl-3-{5-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazol-3-yl}benzamide
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N-(cyanomethyl)-3-(5-(4-(4-methylpiperazin-1-yl)phenyl)-1H-pyrazol-3-yl)benzamide
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5-(2-fluorophenyl)-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714649
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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-[3-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 155400359
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
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4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide (CID 155516442) is 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide is CC(C)c1cc(-c2cccc(NC(=O)c3cc(N4CCOCC4)cc(C(F)(F)F)c3)c2)n[nH]1.
What is the InChIKey of 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is BCWVTWLWWRRFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O2/c1-15(2)21-14-22(30-29-21)16-4-3-5-19(11-16)28-23(32)17-10-18(24(25,26)27)13-20(12-17)31-6-8-33-9-7-31/h3-5,10-15H,6-9H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide?
3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 458.48 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[3-(5-propan-2-yl-1H-pyrazol-3-yl)phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 155516442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).