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

C15H11F3N4 — CID 162286715

IUPAC4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
SMILESCc1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H11F3N4/c1-9-7-11(12-8-13(22-21-12)15(16,17)18)20-14(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22)
InChIKeyODHHLSLCUKWVTL-UHFFFAOYSA-N
MW304.28 g/mol
LogP3.86
Rot. Bonds2

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

4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine (PubChem CID 162286715) has the molecular formula C15H11F3N4 and a molecular weight of 304.28 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
PubChem CID162286715
Molecular FormulaC15H11F3N4
Molecular Weight304.28 g/mol
Exact Mass304.09
IUPAC Name4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine
SMILESCc1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H11F3N4/c1-9-7-11(12-8-13(22-21-12)15(16,17)18)20-14(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22)
InChIKeyODHHLSLCUKWVTL-UHFFFAOYSA-N
XLogP3.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine?
The IUPAC name of 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine (CID 162286715) is 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine?
The canonical SMILES for 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine is Cc1cc(-c2cc(C(F)(F)F)[nH]n2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine?
The InChIKey is ODHHLSLCUKWVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4/c1-9-7-11(12-8-13(22-21-12)15(16,17)18)20-14(19-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,21,22).
What are the key properties of 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine?
4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine has a molecular weight of 304.28 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 162286715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).