[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone

C15H14F3N3O2 — CID 95549395

IUPAC[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(-c2cn[nH]c2)c1)N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)13-9-21(4-5-23-13)14(22)11-3-1-2-10(6-11)12-7-19-20-8-12/h1-3,6-8,13H,4-5,9H2,(H,19,20)/t13-/m1/s1
InChIKeyBZUHJVDAFKHSGU-CYBMUJFWSA-N
MW325.29 g/mol
LogP2.48
Rot. Bonds2

About [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone

[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 95549395) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID95549395
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1cccc(-c2cn[nH]c2)c1)N1CCO[C@@H](C(F)(F)F)C1
InChIInChI=1S/C15H14F3N3O2/c16-15(17,18)13-9-21(4-5-23-13)14(22)11-3-1-2-10(6-11)12-7-19-20-8-12/h1-3,6-8,13H,4-5,9H2,(H,19,20)/t13-/m1/s1
InChIKeyBZUHJVDAFKHSGU-CYBMUJFWSA-N
XLogP2.48
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 110486725
[2-(methylamino)-4-pyridinyl]-[(2S)-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124958881
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74244805
[(2R)-2-(2,4-difluorophenyl)morpholin-4-yl]-(1H-pyrazol-4-yl)methanone
CID 124618941
[3-(1H-pyrazol-4-yl)phenyl]-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163309031
2-[5-[1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119066861
(2-cyclopropylpyrimidin-5-yl)-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95509697
1-[(3R,4R)-4-hydroxy-1-[3-(1H-pyrazol-4-yl)benzoyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698775
(4-methylsulfonyl-1,4-diazepan-1-yl)-[3-(1H-pyrazol-4-yl)phenyl]methanone
CID 74238732
[3-(1-methylpyrrol-2-yl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 97132778
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95468822
2-[(2S)-1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-2-yl]acetic acid
CID 126437661

Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 95549395) is [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1cccc(-c2cn[nH]c2)c1)N1CCO[C@@H](C(F)(F)F)C1.
What is the InChIKey of [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is BZUHJVDAFKHSGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c16-15(17,18)13-9-21(4-5-23-13)14(22)11-3-1-2-10(6-11)12-7-19-20-8-12/h1-3,6-8,13H,4-5,9H2,(H,19,20)/t13-/m1/s1.
What are the key properties of [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone?
[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 325.29 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95549395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).