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

C8H5F3N4 — CID 18174935

IUPAC2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(-n2cccn2)n1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-2-4-12-7(14-6)15-5-1-3-13-15/h1-5H
InChIKeyYLOOJFWYOHKASQ-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.68
Rot. Bonds1

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

2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 18174935) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine
PubChem CID18174935
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(-n2cccn2)n1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-2-4-12-7(14-6)15-5-1-3-13-15/h1-5H
InChIKeyYLOOJFWYOHKASQ-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 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine (CID 18174935) is 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(-n2cccn2)n1.
What is the InChIKey of 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is YLOOJFWYOHKASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)6-2-4-12-7(14-6)15-5-1-3-13-15/h1-5H.
What are the key properties of 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine?
2-pyrazol-1-yl-4-(trifluoromethyl)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 2-pyrazol-1-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 18174935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).