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

C9H8F2N4O — CID 66021097

IUPAC5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
SMILESCc1cc(-n2[nH]c(C(F)F)cc2=O)ncn1
InChIInChI=1S/C9H8F2N4O/c1-5-2-7(13-4-12-5)15-8(16)3-6(14-15)9(10)11/h2-4,9,14H,1H3
InChIKeyGJGCJUMYAWTCBL-UHFFFAOYSA-N
MW226.19 g/mol
LogP1.20
Rot. Bonds2

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

5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one (PubChem CID 66021097) has the molecular formula C9H8F2N4O and a molecular weight of 226.19 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
PubChem CID66021097
Molecular FormulaC9H8F2N4O
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
SMILESCc1cc(-n2[nH]c(C(F)F)cc2=O)ncn1
InChIInChI=1S/C9H8F2N4O/c1-5-2-7(13-4-12-5)15-8(16)3-6(14-15)9(10)11/h2-4,9,14H,1H3
InChIKeyGJGCJUMYAWTCBL-UHFFFAOYSA-N
XLogP1.20
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-1-(4-trifluoromethyl-2-pyrimidyl)-3-pyrazolin-5-one
CID 69007872
3-amino-2-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-1H-pyrazol-5-one
CID 132207669
2-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-3-methyl-1H-pyrazol-5-one
CID 132207737
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)acetohydrazide
CID 140101069
N-(3,3-difluoropyrrolidin-1-yl)-6-methylpyrimidin-4-amine
CID 172324488
2-[[6-(Difluoromethyl)pyrimidin-4-yl]amino]acetohydrazide
CID 178970872
3-Methyl-1-[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]-1h-pyrazol-5-ol
CID 129765602
2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 1872401
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

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one (CID 66021097) is 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one is Cc1cc(-n2[nH]c(C(F)F)cc2=O)ncn1.
What is the InChIKey of 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one?
The InChIKey is GJGCJUMYAWTCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O/c1-5-2-7(13-4-12-5)15-8(16)3-6(14-15)9(10)11/h2-4,9,14H,1H3.
What are the key properties of 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one?
5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one has a molecular weight of 226.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 66021097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).