2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H12F3N5O — CID 162676141

IUPAC2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCNc1cc(C)nn1-c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H12F3N5O/c1-3-15-8-4-6(2)18-19(8)10-16-7(11(12,13)14)5-9(20)17-10/h4-5,15H,3H2,1-2H3,(H,16,17,20)
InChIKeyKLHDOSNGTOSNJD-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.71
Rot. Bonds3

About 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162676141) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162676141
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCCNc1cc(C)nn1-c1nc(C(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H12F3N5O/c1-3-15-8-4-6(2)18-19(8)10-16-7(11(12,13)14)5-9(20)17-10/h4-5,15H,3H2,1-2H3,(H,16,17,20)
InChIKeyKLHDOSNGTOSNJD-UHFFFAOYSA-N
XLogP1.71
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162676141) is 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is CCNc1cc(C)nn1-c1nc(C(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is KLHDOSNGTOSNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-3-15-8-4-6(2)18-19(8)10-16-7(11(12,13)14)5-9(20)17-10/h4-5,15H,3H2,1-2H3,(H,16,17,20).
What are the key properties of 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 287.25 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162676141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).