N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide

C19H16F4N6O2 — CID 71086896

IUPACN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cnc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F4N6O2/c20-14-5-12(1-2-13(14)15-7-24-3-4-31-15)28-18(30)11-6-27-29(10-11)17-9-25-16(8-26-17)19(21,22)23/h1-2,5-6,8-10,15,24H,3-4,7H2,(H,28,30)/t15-/m1/s1
InChIKeyZRTMLVNRXVGSKZ-OAHLLOKOSA-N
MW436.37 g/mol
LogP2.73
Rot. Bonds4

About N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide

N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide (PubChem CID 71086896) has the molecular formula C19H16F4N6O2 and a molecular weight of 436.37 g/mol. Its IUPAC name is N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
PubChem CID71086896
Molecular FormulaC19H16F4N6O2
Molecular Weight436.37 g/mol
Exact Mass436.13
IUPAC NameN-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cnc(C(F)(F)F)cn2)c1
InChIInChI=1S/C19H16F4N6O2/c20-14-5-12(1-2-13(14)15-7-24-3-4-31-15)28-18(30)11-6-27-29(10-11)17-9-25-16(8-26-17)19(21,22)23/h1-2,5-6,8-10,15,24H,3-4,7H2,(H,28,30)/t15-/m1/s1
InChIKeyZRTMLVNRXVGSKZ-OAHLLOKOSA-N
XLogP2.73
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
1-(5-chloro-2-pyridinyl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087663
1-(5-cyanopyrazin-2-yl)-N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]pyrazole-4-carboxamide
CID 71086678
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 71086718
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086728
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 71086845
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086875
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086956
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyridin-3-yl]pyrazole-4-carboxamide
CID 71086958
N-[3-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71087018
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087452
1-(5-cyanopyrazin-2-yl)-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
CID 71087474

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide (CID 71086896) is N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2cnc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide?
The InChIKey is ZRTMLVNRXVGSKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H16F4N6O2/c20-14-5-12(1-2-13(14)15-7-24-3-4-31-15)28-18(30)11-6-27-29(10-11)17-9-25-16(8-26-17)19(21,22)23/h1-2,5-6,8-10,15,24H,3-4,7H2,(H,28,30)/t15-/m1/s1.
What are the key properties of N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide?
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide has a molecular weight of 436.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 71086896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).