N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide

C16H14F6N4O2 — CID 10158342

IUPACN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H14F6N4O2/c17-15(18,19)12-9-13(16(20,21)22)26(24-12)11-3-1-10(2-4-11)23-14(27)25-5-7-28-8-6-25/h1-4,9H,5-8H2,(H,23,27)
InChIKeyORFFIGWBRSOEEV-UHFFFAOYSA-N
MW408.30 g/mol
LogP3.77
Rot. Bonds2

About N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide

N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide (PubChem CID 10158342) has the molecular formula C16H14F6N4O2 and a molecular weight of 408.30 g/mol. Its IUPAC name is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide
PubChem CID10158342
Molecular FormulaC16H14F6N4O2
Molecular Weight408.30 g/mol
Exact Mass408.10
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C16H14F6N4O2/c17-15(18,19)12-9-13(16(20,21)22)26(24-12)11-3-1-10(2-4-11)23-14(27)25-5-7-28-8-6-25/h1-4,9H,5-8H2,(H,23,27)
InChIKeyORFFIGWBRSOEEV-UHFFFAOYSA-N
XLogP3.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide (CID 10158342) is N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide?
The InChIKey is ORFFIGWBRSOEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N4O2/c17-15(18,19)12-9-13(16(20,21)22)26(24-12)11-3-1-10(2-4-11)23-14(27)25-5-7-28-8-6-25/h1-4,9H,5-8H2,(H,23,27).
What are the key properties of N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide?
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide has a molecular weight of 408.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 10158342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).