2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C12H11F3N4O — CID 162647530

IUPAC2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(C2CC2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C12H11F3N4O/c1-6-4-8(7-2-3-7)19(18-6)11-16-9(12(13,14)15)5-10(20)17-11/h4-5,7H,2-3H2,1H3,(H,16,17,20)
InChIKeyLGGYIVMAIVILTO-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.16
Rot. Bonds2

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

2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162647530) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162647530
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(C2CC2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C12H11F3N4O/c1-6-4-8(7-2-3-7)19(18-6)11-16-9(12(13,14)15)5-10(20)17-11/h4-5,7H,2-3H2,1H3,(H,16,17,20)
InChIKeyLGGYIVMAIVILTO-UHFFFAOYSA-N
XLogP2.16
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162647530) is 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(C2CC2)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is LGGYIVMAIVILTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-6-4-8(7-2-3-7)19(18-6)11-16-9(12(13,14)15)5-10(20)17-11/h4-5,7H,2-3H2,1H3,(H,16,17,20).
What are the key properties of 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 284.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162647530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).