2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one

C15H14F3N7O2 — CID 59603621

IUPAC2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
SMILESO=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C15H14F3N7O2/c16-15(17,18)11-7-24(9-21-11)10-6-22-25(14(10)26)13-5-12(19-8-20-13)23-1-3-27-4-2-23/h5-9,22H,1-4H2
InChIKeyQCAZUHAFTVNPNC-UHFFFAOYSA-N
MW381.32 g/mol
LogP1.00
Rot. Bonds3

About 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one

2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one (PubChem CID 59603621) has the molecular formula C15H14F3N7O2 and a molecular weight of 381.32 g/mol. Its IUPAC name is 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
PubChem CID59603621
Molecular FormulaC15H14F3N7O2
Molecular Weight381.32 g/mol
Exact Mass381.12
IUPAC Name2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one
SMILESO=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C15H14F3N7O2/c16-15(17,18)11-7-24(9-21-11)10-6-22-25(14(10)26)13-5-12(19-8-20-13)23-1-3-27-4-2-23/h5-9,22H,1-4H2
InChIKeyQCAZUHAFTVNPNC-UHFFFAOYSA-N
XLogP1.00
TPSA93.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one?
The IUPAC name of 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one (CID 59603621) is 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one is O=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1cc(N2CCOCC2)ncn1.
What is the InChIKey of 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one?
The InChIKey is QCAZUHAFTVNPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O2/c16-15(17,18)11-7-24(9-21-11)10-6-22-25(14(10)26)13-5-12(19-8-20-13)23-1-3-27-4-2-23/h5-9,22H,1-4H2.
What are the key properties of 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one?
2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one has a molecular weight of 381.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-morpholin-4-ylpyrimidin-4-yl)-4-[4-(trifluoromethyl)imidazol-1-yl]-1H-pyrazol-3-one is sourced from PubChem (CID 59603621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).