4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine

C16H13F3N4 — CID 796088

IUPAC4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)n(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H13F3N4/c1-10-8-11(2)23(22-10)14-9-13(16(17,18)19)20-15(21-14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyOSGNIFQLEICTRY-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.96
Rot. Bonds2

About 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine (PubChem CID 796088) has the molecular formula C16H13F3N4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine
PubChem CID796088
Molecular FormulaC16H13F3N4
Molecular Weight318.30 g/mol
Exact Mass318.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C)n(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H13F3N4/c1-10-8-11(2)23(22-10)14-9-13(16(17,18)19)20-15(21-14)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyOSGNIFQLEICTRY-UHFFFAOYSA-N
XLogP3.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine (CID 796088) is 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine is Cc1cc(C)n(-c2cc(C(F)(F)F)nc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is OSGNIFQLEICTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4/c1-10-8-11(2)23(22-10)14-9-13(16(17,18)19)20-15(21-14)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 318.30 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-2-phenyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 796088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).