2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one

C15H13FN4O — CID 162644365

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)n1
InChIInChI=1S/C15H13FN4O/c1-9-7-10(2)20(19-9)15-17-13(8-14(21)18-15)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18,21)
InChIKeyBIGCPQRPPZFZRI-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.38
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one

2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 162644365) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID162644365
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)n1
InChIInChI=1S/C15H13FN4O/c1-9-7-10(2)20(19-9)15-17-13(8-14(21)18-15)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18,21)
InChIKeyBIGCPQRPPZFZRI-UHFFFAOYSA-N
XLogP2.38
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one (CID 162644365) is 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one is Cc1cc(C)n(-c2nc(-c3ccc(F)cc3)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is BIGCPQRPPZFZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-9-7-10(2)20(19-9)15-17-13(8-14(21)18-15)11-3-5-12(16)6-4-11/h3-8H,1-2H3,(H,17,18,21).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one?
2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 284.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-(4-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162644365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).