N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide

C38H34F6N12O4 — CID 158909816

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cc(C(F)(F)F)ncn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cncc(C(F)(F)F)n2)n1
InChIInChI=1S/2C19H17F3N6O2/c20-19(21,22)16-9-17(25-11-24-16)28-7-5-14(27-28)18(29)26-13-3-1-12(2-4-13)15-10-23-6-8-30-15;20-19(21,22)16-10-24-11-17(26-16)28-7-5-14(27-28)18(29)25-13-3-1-12(2-4-13)15-9-23-6-8-30-15/h1-5,7,9,11,15,23H,6,8,10H2,(H,26,29);1-5,7,10-11,15,23H,6,8-9H2,(H,25,29)/t2*15-/m11/s1
InChIKeyJGMPZASNYVNQLQ-PZYGRECOSA-N
MW836.76 g/mol
LogP5.19
Rot. Bonds8

About N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide

N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide (PubChem CID 158909816) has the molecular formula C38H34F6N12O4 and a molecular weight of 836.76 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
PubChem CID158909816
Molecular FormulaC38H34F6N12O4
Molecular Weight836.76 g/mol
Exact Mass836.27
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cc(C(F)(F)F)ncn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cncc(C(F)(F)F)n2)n1
InChIInChI=1S/2C19H17F3N6O2/c20-19(21,22)16-9-17(25-11-24-16)28-7-5-14(27-28)18(29)26-13-3-1-12(2-4-13)15-10-23-6-8-30-15;20-19(21,22)16-10-24-11-17(26-16)28-7-5-14(27-28)18(29)25-13-3-1-12(2-4-13)15-9-23-6-8-30-15/h1-5,7,9,11,15,23H,6,8,10H2,(H,26,29);1-5,7,10-11,15,23H,6,8-9H2,(H,25,29)/t2*15-/m11/s1
InChIKeyJGMPZASNYVNQLQ-PZYGRECOSA-N
XLogP5.19
TPSA187.92 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500836.76
LogP ≤ 55.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[4-[(2R)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-3-carboxamide
CID 71087441
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-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086875
N-[3-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazole-4-carboxamide
CID 71086896
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
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087564
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide
CID 71087715
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[5-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carboxamide
CID 71087735
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 71087896
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 73442502

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide (CID 158909816) is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cc(C(F)(F)F)ncn2)n1.O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccn(-c2cncc(C(F)(F)F)n2)n1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is JGMPZASNYVNQLQ-PZYGRECOSA-N. The full InChI is InChI=1S/2C19H17F3N6O2/c20-19(21,22)16-9-17(25-11-24-16)28-7-5-14(27-28)18(29)26-13-3-1-12(2-4-13)15-10-23-6-8-30-15;20-19(21,22)16-10-24-11-17(26-16)28-7-5-14(27-28)18(29)25-13-3-1-12(2-4-13)15-9-23-6-8-30-15/h1-5,7,9,11,15,23H,6,8,10H2,(H,26,29);1-5,7,10-11,15,23H,6,8-9H2,(H,25,29)/t2*15-/m11/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 836.76 g/mol, XLogP of 5.19, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrazin-2-yl]pyrazole-3-carboxamide;N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 158909816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).