3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide

C15H22BrF3N4O2 — CID 28559628

IUPAC3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CCC(=O)N[C@@H](C)CN1CCOCC1
InChIInChI=1S/C15H22BrF3N4O2/c1-10(9-22-5-7-25-8-6-22)20-12(24)3-4-23-11(2)13(16)14(21-23)15(17,18)19/h10H,3-9H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeyGKGXSGSJEPLFJW-JTQLQIEISA-N
MW427.27 g/mol
LogP2.20
Rot. Bonds6

About 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide

3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide (PubChem CID 28559628) has the molecular formula C15H22BrF3N4O2 and a molecular weight of 427.27 g/mol. Its IUPAC name is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide.

Molecular Properties

Compound Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide
PubChem CID28559628
Molecular FormulaC15H22BrF3N4O2
Molecular Weight427.27 g/mol
Exact Mass426.09
IUPAC Name3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide
SMILESCc1c(Br)c(C(F)(F)F)nn1CCC(=O)N[C@@H](C)CN1CCOCC1
InChIInChI=1S/C15H22BrF3N4O2/c1-10(9-22-5-7-25-8-6-22)20-12(24)3-4-23-11(2)13(16)14(21-23)15(17,18)19/h10H,3-9H2,1-2H3,(H,20,24)/t10-/m0/s1
InChIKeyGKGXSGSJEPLFJW-JTQLQIEISA-N
XLogP2.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1-morpholin-4-ylpropan-2-yl)propanamide
CID 19575831
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 79201323
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(4-pyrrol-1-ylphenyl)ethyl]propanamide
CID 19550307
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 19523062
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851619
N-(1-morpholin-4-ylpropan-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924254
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 19550163
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19550123
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19550281
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 4769764
2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide
CID 55796389

Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide?
The IUPAC name of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide (CID 28559628) is 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide.
What is the SMILES notation for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide?
The canonical SMILES for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide is Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)N[C@@H](C)CN1CCOCC1.
What is the InChIKey of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide?
The InChIKey is GKGXSGSJEPLFJW-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22BrF3N4O2/c1-10(9-22-5-7-25-8-6-22)20-12(24)3-4-23-11(2)13(16)14(21-23)15(17,18)19/h10H,3-9H2,1-2H3,(H,20,24)/t10-/m0/s1.
What are the key properties of 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide?
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide has a molecular weight of 427.27 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2S)-1-morpholin-4-ylpropan-2-yl]propanamide is sourced from PubChem (CID 28559628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).