2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

C10H9F3N4O — CID 136740737

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C10H9F3N4O/c1-5-3-6(2)17(16-5)9-14-7(10(11,12)13)4-8(18)15-9/h3-4H,1-2H3,(H,14,15,18)
InChIKeyDQOUXUFHLWDUSH-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.59
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136740737) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136740737
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C10H9F3N4O/c1-5-3-6(2)17(16-5)9-14-7(10(11,12)13)4-8(18)15-9/h3-4H,1-2H3,(H,14,15,18)
InChIKeyDQOUXUFHLWDUSH-UHFFFAOYSA-N
XLogP1.59
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136740737) is 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(C)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is DQOUXUFHLWDUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-5-3-6(2)17(16-5)9-14-7(10(11,12)13)4-8(18)15-9/h3-4H,1-2H3,(H,14,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 258.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136740737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).