2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

C14H10ClFN4O — CID 136771836

IUPAC2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(-c3ccc(F)c(Cl)c3)n2)cn1
InChIInChI=1S/C14H10ClFN4O/c1-20-7-9(6-17-20)12-5-13(21)19-14(18-12)8-2-3-11(16)10(15)4-8/h2-7H,1H3,(H,18,19,21)
InChIKeyHQUOSNVEGHDXOD-UHFFFAOYSA-N
MW304.71 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one

2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136771836) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136771836
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(-c3ccc(F)c(Cl)c3)n2)cn1
InChIInChI=1S/C14H10ClFN4O/c1-20-7-9(6-17-20)12-5-13(21)19-14(18-12)8-2-3-11(16)10(15)4-8/h2-7H,1H3,(H,18,19,21)
InChIKeyHQUOSNVEGHDXOD-UHFFFAOYSA-N
XLogP2.63
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-chlorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136782050
2-(3-bromo-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771732
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975531
4-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136980831
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 135975402
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-(1-methylpyrazol-4-yl)-2-(1-methylsulfonylethyl)-1H-pyrimidin-6-one
CID 136771755
4-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136769988
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
2-[(dimethylamino)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136980824
2-(azepan-1-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771798
2-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771794

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136771836) is 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is Cn1cc(-c2cc(=O)[nH]c(-c3ccc(F)c(Cl)c3)n2)cn1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is HQUOSNVEGHDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c1-20-7-9(6-17-20)12-5-13(21)19-14(18-12)8-2-3-11(16)10(15)4-8/h2-7H,1H3,(H,18,19,21).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 304.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136771836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).