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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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).