2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine

C9H7F3N4 — CID 91354283

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine
SMILESFC(F)(F)Cn1ccc(-c2ncccn2)n1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-16-5-2-7(15-16)8-13-3-1-4-14-8/h1-5H,6H2
InChIKeyQACLPKOSRAFSAV-UHFFFAOYSA-N
MW228.18 g/mol
LogP1.90
Rot. Bonds2

About 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine

2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine (PubChem CID 91354283) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine
PubChem CID91354283
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine
SMILESFC(F)(F)Cn1ccc(-c2ncccn2)n1
InChIInChI=1S/C9H7F3N4/c10-9(11,12)6-16-5-2-7(15-16)8-13-3-1-4-14-8/h1-5H,6H2
InChIKeyQACLPKOSRAFSAV-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine (CID 91354283) is 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine is FC(F)(F)Cn1ccc(-c2ncccn2)n1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine?
The InChIKey is QACLPKOSRAFSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c10-9(11,12)6-16-5-2-7(15-16)8-13-3-1-4-14-8/h1-5H,6H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine?
2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine has a molecular weight of 228.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidine is sourced from PubChem (CID 91354283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).