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

C19H17F3N6O2 — CID 73442502

IUPACN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cc(C(F)(F)F)ncn2)c1
InChIInChI=1S/C19H17F3N6O2/c20-19(21,22)16-7-17(25-11-24-16)28-10-13(8-26-28)18(29)27-14-3-1-12(2-4-14)15-9-23-5-6-30-15/h1-4,7-8,10-11,15,23H,5-6,9H2,(H,27,29)/t15-/m1/s1
InChIKeyIMHUTTCSRIESML-OAHLLOKOSA-N
MW418.38 g/mol
LogP2.59
Rot. Bonds4

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

N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 73442502) has the molecular formula C19H17F3N6O2 and a molecular weight of 418.38 g/mol. Its IUPAC name is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID73442502
Molecular FormulaC19H17F3N6O2
Molecular Weight418.38 g/mol
Exact Mass418.14
IUPAC NameN-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cc(C(F)(F)F)ncn2)c1
InChIInChI=1S/C19H17F3N6O2/c20-19(21,22)16-7-17(25-11-24-16)28-10-13(8-26-28)18(29)27-14-3-1-12(2-4-14)15-9-23-5-6-30-15/h1-4,7-8,10-11,15,23H,5-6,9H2,(H,27,29)/t15-/m1/s1
InChIKeyIMHUTTCSRIESML-OAHLLOKOSA-N
XLogP2.59
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide (CID 73442502) is N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide is O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cc(C(F)(F)F)ncn2)c1.
What is the InChIKey of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is IMHUTTCSRIESML-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H17F3N6O2/c20-19(21,22)16-7-17(25-11-24-16)28-10-13(8-26-28)18(29)27-14-3-1-12(2-4-14)15-9-23-5-6-30-15/h1-4,7-8,10-11,15,23H,5-6,9H2,(H,27,29)/t15-/m1/s1.
What are the key properties of N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide?
N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S)-morpholin-2-yl]phenyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 73442502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).