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

C9H8F3N5O — CID 162645359

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(N)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C9H8F3N5O/c1-4-2-6(13)17(16-4)8-14-5(9(10,11)12)3-7(18)15-8/h2-3H,13H2,1H3,(H,14,15,18)
InChIKeyWELBOGYQKFZERN-UHFFFAOYSA-N
MW259.19 g/mol
LogP0.87
Rot. Bonds1

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

2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162645359) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162645359
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(N)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C9H8F3N5O/c1-4-2-6(13)17(16-4)8-14-5(9(10,11)12)3-7(18)15-8/h2-3H,13H2,1H3,(H,14,15,18)
InChIKeyWELBOGYQKFZERN-UHFFFAOYSA-N
XLogP0.87
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
2-(3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136740737
2-(5-amino-3-cyclopropylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162645681
2-[5-(2-methoxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162669511
2-[3-methyl-5-(oxan-4-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162674085
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162645359) is 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(N)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is WELBOGYQKFZERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c1-4-2-6(13)17(16-4)8-14-5(9(10,11)12)3-7(18)15-8/h2-3H,13H2,1H3,(H,14,15,18).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 259.19 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162645359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).