4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one

C10H9F3N4O — CID 66021505

IUPAC4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1cc(-n2[nH]c(C(F)(F)F)c(C)c2=O)ncn1
InChIInChI=1S/C10H9F3N4O/c1-5-3-7(15-4-14-5)17-9(18)6(2)8(16-17)10(11,12)13/h3-4,16H,1-2H3
InChIKeyUQKSCOWHNRZFDS-UHFFFAOYSA-N
MW258.20 g/mol
LogP1.59
Rot. Bonds1

About 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one

4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one (PubChem CID 66021505) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
PubChem CID66021505
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
SMILESCc1cc(-n2[nH]c(C(F)(F)F)c(C)c2=O)ncn1
InChIInChI=1S/C10H9F3N4O/c1-5-3-7(15-4-14-5)17-9(18)6(2)8(16-17)10(11,12)13/h3-4,16H,1-2H3
InChIKeyUQKSCOWHNRZFDS-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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Related Compounds

3-Methyl-1-(4-trifluoromethyl-2-pyrimidyl)-3-pyrazolin-5-one
CID 69007872
2-[6-(dimethylamino)pyrimidin-4-yl]-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 139331657
N'-[2-cyano-6-(trifluoromethyl)pyrimidin-4-yl]-N'-(2,2-dimethylpropyl)-2,2-dimethylpropanehydrazide
CID 140101173
(E)-N,N-dimethyl-3-[3-methyl-5-oxo-2-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-4-yl]but-2-enamide
CID 23661287
5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-4H-pyrazol-3-one
CID 55210259
4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 55229931
2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-4H-pyrazol-3-one
CID 61964747
4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-thione
CID 63744609
5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
CID 66021097
2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021712
2-(4,6-dimethylpyrimidin-2-yl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021877
2-(2,6-dimethylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 79822557

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The IUPAC name of 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one (CID 66021505) is 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The canonical SMILES for 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one is Cc1cc(-n2[nH]c(C(F)(F)F)c(C)c2=O)ncn1.
What is the InChIKey of 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
The InChIKey is UQKSCOWHNRZFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c1-5-3-7(15-4-14-5)17-9(18)6(2)8(16-17)10(11,12)13/h3-4,16H,1-2H3.
What are the key properties of 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one?
4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-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 4-methyl-2-(6-methylpyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66021505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).