2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine

C16H10F6N4 — CID 15988920

IUPAC2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H10F6N4/c1-9-7-13(16(20,21)22)25-26(9)14-23-11(10-5-3-2-4-6-10)8-12(24-14)15(17,18)19/h2-8H,1H3
InChIKeyJUGLBUHXDYBUTC-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.68
Rot. Bonds2

About 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine

2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 15988920) has the molecular formula C16H10F6N4 and a molecular weight of 372.27 g/mol. Its IUPAC name is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID15988920
Molecular FormulaC16H10F6N4
Molecular Weight372.27 g/mol
Exact Mass372.08
IUPAC Name2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H10F6N4/c1-9-7-13(16(20,21)22)25-26(9)14-23-11(10-5-3-2-4-6-10)8-12(24-14)15(17,18)19/h2-8H,1H3
InChIKeyJUGLBUHXDYBUTC-UHFFFAOYSA-N
XLogP4.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine (CID 15988920) is 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nn1-c1nc(-c2ccccc2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is JUGLBUHXDYBUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N4/c1-9-7-13(16(20,21)22)25-26(9)14-23-11(10-5-3-2-4-6-10)8-12(24-14)15(17,18)19/h2-8H,1H3.
What are the key properties of 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine?
2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 372.27 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-4-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 15988920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).