4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine

C19H13FN4 — CID 879111

IUPAC4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine
SMILESFc1ccc(-c2cc(-c3ccccc3)nc(-n3cccn3)n2)cc1
InChIInChI=1S/C19H13FN4/c20-16-9-7-15(8-10-16)18-13-17(14-5-2-1-3-6-14)22-19(23-18)24-12-4-11-21-24/h1-13H
InChIKeyARERXBRGSMZRHG-UHFFFAOYSA-N
MW316.34 g/mol
LogP4.14
Rot. Bonds3

About 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine

4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine (PubChem CID 879111) has the molecular formula C19H13FN4 and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine
PubChem CID879111
Molecular FormulaC19H13FN4
Molecular Weight316.34 g/mol
Exact Mass316.11
IUPAC Name4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine
SMILESFc1ccc(-c2cc(-c3ccccc3)nc(-n3cccn3)n2)cc1
InChIInChI=1S/C19H13FN4/c20-16-9-7-15(8-10-16)18-13-17(14-5-2-1-3-6-14)22-19(23-18)24-12-4-11-21-24/h1-13H
InChIKeyARERXBRGSMZRHG-UHFFFAOYSA-N
XLogP4.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine (CID 879111) is 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine is Fc1ccc(-c2cc(-c3ccccc3)nc(-n3cccn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine?
The InChIKey is ARERXBRGSMZRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4/c20-16-9-7-15(8-10-16)18-13-17(14-5-2-1-3-6-14)22-19(23-18)24-12-4-11-21-24/h1-13H.
What are the key properties of 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine?
4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine has a molecular weight of 316.34 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-phenyl-2-pyrazol-1-ylpyrimidine is sourced from PubChem (CID 879111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).