5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one

C10H10F2N4O — CID 66021669

IUPAC5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one
SMILESCc1cc(C)nc(-n2[nH]c(C(F)F)cc2=O)n1
InChIInChI=1S/C10H10F2N4O/c1-5-3-6(2)14-10(13-5)16-8(17)4-7(15-16)9(11)12/h3-4,9,15H,1-2H3
InChIKeyRXRIHASKFMEFBL-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.51
Rot. Bonds2

About 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one

5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one (PubChem CID 66021669) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one
PubChem CID66021669
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one
SMILESCc1cc(C)nc(-n2[nH]c(C(F)F)cc2=O)n1
InChIInChI=1S/C10H10F2N4O/c1-5-3-6(2)14-10(13-5)16-8(17)4-7(15-16)9(11)12/h3-4,9,15H,1-2H3
InChIKeyRXRIHASKFMEFBL-UHFFFAOYSA-N
XLogP1.51
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,6-Dimethylpyrimidin-2-yl)amino]pyrrole-2,5-dione
CID 2028070
2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CID 4890845
2-(4,6-Dimethylpyrimidin-2-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
CID 12771908
2-Acetamido-4,6-dimethylpyrimidine
CID 3489296
N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide
CID 685250
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one
CID 16442200
N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
CID 43616346
4-(2-hydroxyethyl)-5-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrazol-3-one
CID 12174743
N-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
CID 24827743
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136901620
3-Methyl-1-(4-trifluoromethyl-2-pyrimidyl)-3-pyrazolin-5-one
CID 69007872
2-[(4,6-Dimethylpyrimidin-2-yl)amino]-3-ethyl-6-(trifluoromethyl)pyrimidin-4-one
CID 140194532

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one (CID 66021669) is 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one is Cc1cc(C)nc(-n2[nH]c(C(F)F)cc2=O)n1.
What is the InChIKey of 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one?
The InChIKey is RXRIHASKFMEFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c1-5-3-6(2)14-10(13-5)16-8(17)4-7(15-16)9(11)12/h3-4,9,15H,1-2H3.
What are the key properties of 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one?
5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one has a molecular weight of 240.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 66021669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).