1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone

C15H15F3N4O2 — CID 126498048

IUPAC1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N1CCOCC1
InChIInChI=1S/C15H15F3N4O2/c1-10(23)12-9-20-22(14(12)21-4-6-24-7-5-21)11-2-3-13(19-8-11)15(16,17)18/h2-3,8-9H,4-7H2,1H3
InChIKeyHDOWUWPKKJAAHN-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.33
Rot. Bonds3

About 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone

1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone (PubChem CID 126498048) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone
PubChem CID126498048
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N1CCOCC1
InChIInChI=1S/C15H15F3N4O2/c1-10(23)12-9-20-22(14(12)21-4-6-24-7-5-21)11-2-3-13(19-8-11)15(16,17)18/h2-3,8-9H,4-7H2,1H3
InChIKeyHDOWUWPKKJAAHN-UHFFFAOYSA-N
XLogP2.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-amino-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone
CID 126498050
N-(5-morpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38143196
(5-methylsulfonyl-2-morpholin-4-ylphenyl)-[4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methanone
CID 11488879
N-(oxan-4-yl)-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
CID 171992729
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122356884
ethyl 1-[4-[(2-morpholin-4-ylpyridine-3-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 31971380
5-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-2-(trifluoromethyl)pyridine
CID 157464435
4-hydroxy-1-[6-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxamide
CID 146140419
N-[[4-fluoro-1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]methyl]acetamide
CID 165431838
N,2,2-trimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-yl]propanamide
CID 171326504
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
1-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 83882794

Frequently Asked Questions

What is the IUPAC name of 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone (CID 126498048) is 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2ccc(C(F)(F)F)nc2)c1N1CCOCC1.
What is the InChIKey of 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone?
The InChIKey is HDOWUWPKKJAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-10(23)12-9-20-22(14(12)21-4-6-24-7-5-21)11-2-3-13(19-8-11)15(16,17)18/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone?
1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone has a molecular weight of 340.31 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-morpholin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 126498048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).