3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one

C11H9F3N4O — CID 141280266

IUPAC3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2cc(C(F)(F)F)nc(C3CC3)n2)=NN1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)8-3-6(7-4-9(19)18-17-7)15-10(16-8)5-1-2-5/h3,5H,1-2,4H2,(H,18,19)
InChIKeyMVLWJKBNQADMHI-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.60
Rot. Bonds2

About 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one

3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one (PubChem CID 141280266) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one
PubChem CID141280266
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one
SMILESO=C1CC(c2cc(C(F)(F)F)nc(C3CC3)n2)=NN1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)8-3-6(7-4-9(19)18-17-7)15-10(16-8)5-1-2-5/h3,5H,1-2,4H2,(H,18,19)
InChIKeyMVLWJKBNQADMHI-UHFFFAOYSA-N
XLogP1.60
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one (CID 141280266) is 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one is O=C1CC(c2cc(C(F)(F)F)nc(C3CC3)n2)=NN1.
What is the InChIKey of 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one?
The InChIKey is MVLWJKBNQADMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)8-3-6(7-4-9(19)18-17-7)15-10(16-8)5-1-2-5/h3,5H,1-2,4H2,(H,18,19).
What are the key properties of 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one?
3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one has a molecular weight of 270.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 141280266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).