2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C15H11F3N4O — CID 162667955

IUPAC2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2ccccc2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C15H11F3N4O/c1-9-7-11(10-5-3-2-4-6-10)22(21-9)14-19-12(15(16,17)18)8-13(23)20-14/h2-8H,1H3,(H,19,20,23)
InChIKeyWZCNHUXLSFRQDB-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.95
Rot. Bonds2

About 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162667955) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162667955
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(-c2ccccc2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C15H11F3N4O/c1-9-7-11(10-5-3-2-4-6-10)22(21-9)14-19-12(15(16,17)18)8-13(23)20-14/h2-8H,1H3,(H,19,20,23)
InChIKeyWZCNHUXLSFRQDB-UHFFFAOYSA-N
XLogP2.95
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162667955) is 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(-c2ccccc2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is WZCNHUXLSFRQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-9-7-11(10-5-3-2-4-6-10)22(21-9)14-19-12(15(16,17)18)8-13(23)20-14/h2-8H,1H3,(H,19,20,23).
What are the key properties of 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 320.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162667955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).