3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one

C14H11FN4O — CID 141280277

IUPAC3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one
SMILESCc1nc(C2=NNC(=O)C2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN4O/c1-8-16-11(9-2-4-10(15)5-3-9)6-12(17-8)13-7-14(20)19-18-13/h2-6H,7H2,1H3,(H,19,20)
InChIKeyWERLLLJABHAVCE-UHFFFAOYSA-N
MW270.27 g/mol
LogP1.82
Rot. Bonds2

About 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one

3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one (PubChem CID 141280277) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one
PubChem CID141280277
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one
SMILESCc1nc(C2=NNC(=O)C2)cc(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN4O/c1-8-16-11(9-2-4-10(15)5-3-9)6-12(17-8)13-7-14(20)19-18-13/h2-6H,7H2,1H3,(H,19,20)
InChIKeyWERLLLJABHAVCE-UHFFFAOYSA-N
XLogP1.82
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one
CID 605366
[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]methanamine
CID 28908693
3-(4-chlorophenyl)-1,4-dihydropyrazol-5-one
CID 4778793
3-[3-fluoro-4-(4-fluorophenyl)-2-methylphenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 154614489
3-[3,5-bis(trifluoromethyl)phenyl]-1,4-dihydropyrazol-5-one
CID 114763706
N'-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]ethane-1,2-diamine
CID 82479379
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
3-(4-bromo-2-fluorophenyl)-1,4-dihydropyrazol-5-one
CID 114763704
3-[3-fluoro-4-(5-fluoro-2-methylphenyl)phenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 137463241
3-(2-fluorophenyl)-1,4-dihydropyrazol-5-one
CID 43831427
N-benzyl-6-(4-fluorophenyl)-N,2-dimethylpyrimidin-4-amine
CID 4259434
methyl 2-acetamido-5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]benzoate
CID 137333605

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one?
The IUPAC name of 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one (CID 141280277) is 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one?
The canonical SMILES for 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one is Cc1nc(C2=NNC(=O)C2)cc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one?
The InChIKey is WERLLLJABHAVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c1-8-16-11(9-2-4-10(15)5-3-9)6-12(17-8)13-7-14(20)19-18-13/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one?
3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one has a molecular weight of 270.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 141280277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).