(2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide

C20H24F3N5O3 — CID 92632105

IUPAC(2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide
SMILESCC[C@H](C(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCOCC1
InChIInChI=1S/C20H24F3N5O3/c1-2-17(27-6-8-31-9-7-27)19(30)26-16-11-24-28(12-16)13-18(29)25-15-5-3-4-14(10-15)20(21,22)23/h3-5,10-12,17H,2,6-9,13H2,1H3,(H,25,29)(H,26,30)/t17-/m1/s1
InChIKeyLPLNOMWZNFUBMO-QGZVFWFLSA-N
MW439.44 g/mol
LogP2.59
Rot. Bonds7

About (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide

(2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide (PubChem CID 92632105) has the molecular formula C20H24F3N5O3 and a molecular weight of 439.44 g/mol. Its IUPAC name is (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name(2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide
PubChem CID92632105
Molecular FormulaC20H24F3N5O3
Molecular Weight439.44 g/mol
Exact Mass439.18
IUPAC Name(2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide
SMILESCC[C@H](C(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCOCC1
InChIInChI=1S/C20H24F3N5O3/c1-2-17(27-6-8-31-9-7-27)19(30)26-16-11-24-28(12-16)13-18(29)25-15-5-3-4-14(10-15)20(21,22)23/h3-5,10-12,17H,2,6-9,13H2,1H3,(H,25,29)(H,26,30)/t17-/m1/s1
InChIKeyLPLNOMWZNFUBMO-QGZVFWFLSA-N
XLogP2.59
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-2-methylpiperidin-1-yl]-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]acetamide
CID 92632065
(2S)-2-[methyl(2-morpholin-4-ylethyl)amino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 97067662
1-[1-(methoxymethyl)pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19449693
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxylic acid
CID 19482774
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086
2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 42889908
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
1-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19482868
3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4865431
2-(6-methyl-5-morpholin-4-ylsulfonyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 5177406
1-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 19449749
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910

Frequently Asked Questions

What is the IUPAC name of (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide?
The IUPAC name of (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide (CID 92632105) is (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide?
The canonical SMILES for (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide is CC[C@H](C(=O)Nc1cnn(CC(=O)Nc2cccc(C(F)(F)F)c2)c1)N1CCOCC1.
What is the InChIKey of (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide?
The InChIKey is LPLNOMWZNFUBMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24F3N5O3/c1-2-17(27-6-8-31-9-7-27)19(30)26-16-11-24-28(12-16)13-18(29)25-15-5-3-4-14(10-15)20(21,22)23/h3-5,10-12,17H,2,6-9,13H2,1H3,(H,25,29)(H,26,30)/t17-/m1/s1.
What are the key properties of (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide?
(2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide has a molecular weight of 439.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-morpholin-4-yl-N-[1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 92632105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).