2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide

C16H16F3N5O4 — CID 90319810

IUPAC2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide
SMILESCC(O)(C(N)=O)C1(c2nn(C(F)(F)F)cc2-c2ccncc2)OCCNC1=O
InChIInChI=1S/C16H16F3N5O4/c1-14(27,12(20)25)15(13(26)22-6-7-28-15)11-10(9-2-4-21-5-3-9)8-24(23-11)16(17,18)19/h2-5,8,27H,6-7H2,1H3,(H2,20,25)(H,22,26)
InChIKeyDINOHKRMFVKYEK-UHFFFAOYSA-N
MW399.33 g/mol
LogP-0.00
Rot. Bonds4

About 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide

2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide (PubChem CID 90319810) has the molecular formula C16H16F3N5O4 and a molecular weight of 399.33 g/mol. Its IUPAC name is 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide
PubChem CID90319810
Molecular FormulaC16H16F3N5O4
Molecular Weight399.33 g/mol
Exact Mass399.12
IUPAC Name2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide
SMILESCC(O)(C(N)=O)C1(c2nn(C(F)(F)F)cc2-c2ccncc2)OCCNC1=O
InChIInChI=1S/C16H16F3N5O4/c1-14(27,12(20)25)15(13(26)22-6-7-28-15)11-10(9-2-4-21-5-3-9)8-24(23-11)16(17,18)19/h2-5,8,27H,6-7H2,1H3,(H2,20,25)(H,22,26)
InChIKeyDINOHKRMFVKYEK-UHFFFAOYSA-N
XLogP-0.00
TPSA132.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide?
The IUPAC name of 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide (CID 90319810) is 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide.
What is the SMILES notation for 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide?
The canonical SMILES for 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide is CC(O)(C(N)=O)C1(c2nn(C(F)(F)F)cc2-c2ccncc2)OCCNC1=O.
What is the InChIKey of 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide?
The InChIKey is DINOHKRMFVKYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5O4/c1-14(27,12(20)25)15(13(26)22-6-7-28-15)11-10(9-2-4-21-5-3-9)8-24(23-11)16(17,18)19/h2-5,8,27H,6-7H2,1H3,(H2,20,25)(H,22,26).
What are the key properties of 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide?
2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide has a molecular weight of 399.33 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-oxo-2-[4-pyridin-4-yl-1-(trifluoromethyl)pyrazol-3-yl]morpholin-2-yl]propanamide is sourced from PubChem (CID 90319810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).