4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C8H5F3N4 — CID 69436881

IUPAC4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESFC(F)(F)c1cnn(-c2ccncn2)c1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-3-14-15(4-6)7-1-2-12-5-13-7/h1-5H
InChIKeyYYLVTYBRDGHALS-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.68
Rot. Bonds1

About 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 69436881) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID69436881
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESFC(F)(F)c1cnn(-c2ccncn2)c1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-3-14-15(4-6)7-1-2-12-5-13-7/h1-5H
InChIKeyYYLVTYBRDGHALS-UHFFFAOYSA-N
XLogP1.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 69436881) is 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine is FC(F)(F)c1cnn(-c2ccncn2)c1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is YYLVTYBRDGHALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)6-3-14-15(4-6)7-1-2-12-5-13-7/h1-5H.
What are the key properties of 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 214.15 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 69436881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).