4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine

C14H8F4N4 — CID 6621349

IUPAC4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFc1ccc(-c2cc(C(F)(F)F)nc(-n3cccn3)n2)cc1
InChIInChI=1S/C14H8F4N4/c15-10-4-2-9(3-5-10)11-8-12(14(16,17)18)21-13(20-11)22-7-1-6-19-22/h1-8H
InChIKeyCSDYXRNRBFIZJN-UHFFFAOYSA-N
MW308.24 g/mol
LogP3.49
Rot. Bonds2

About 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine

4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 6621349) has the molecular formula C14H8F4N4 and a molecular weight of 308.24 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID6621349
Molecular FormulaC14H8F4N4
Molecular Weight308.24 g/mol
Exact Mass308.07
IUPAC Name4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine
SMILESFc1ccc(-c2cc(C(F)(F)F)nc(-n3cccn3)n2)cc1
InChIInChI=1S/C14H8F4N4/c15-10-4-2-9(3-5-10)11-8-12(14(16,17)18)21-13(20-11)22-7-1-6-19-22/h1-8H
InChIKeyCSDYXRNRBFIZJN-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine (CID 6621349) is 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine is Fc1ccc(-c2cc(C(F)(F)F)nc(-n3cccn3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is CSDYXRNRBFIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N4/c15-10-4-2-9(3-5-10)11-8-12(14(16,17)18)21-13(20-11)22-7-1-6-19-22/h1-8H.
What are the key properties of 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine?
4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 308.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-pyrazol-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 6621349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).