4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine

C9H7F3N4 — CID 173341974

IUPAC4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1cc(-n2cccn2)ncn1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)5-7-4-8(14-6-13-7)16-3-1-2-15-16/h1-4,6H,5H2
InChIKeyRKZYRAOTSJYEKQ-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.77
Rot. Bonds2

About 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine

4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 173341974) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID173341974
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1cc(-n2cccn2)ncn1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)5-7-4-8(14-6-13-7)16-3-1-2-15-16/h1-4,6H,5H2
InChIKeyRKZYRAOTSJYEKQ-UHFFFAOYSA-N
XLogP1.77
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine (CID 173341974) is 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine is FC(F)(F)Cc1cc(-n2cccn2)ncn1.
What is the InChIKey of 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is RKZYRAOTSJYEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)5-7-4-8(14-6-13-7)16-3-1-2-15-16/h1-4,6H,5H2.
What are the key properties of 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine?
4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 228.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-6-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 173341974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).