2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C8H3Cl2F3N4 — CID 79633439

IUPAC2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESFC(F)(F)c1ccn(-c2nc(Cl)ncc2Cl)n1
InChIInChI=1S/C8H3Cl2F3N4/c9-4-3-14-7(10)15-6(4)17-2-1-5(16-17)8(11,12)13/h1-3H
InChIKeyXBVGPKWUYXTBCF-UHFFFAOYSA-N
MW283.04 g/mol
LogP2.99
Rot. Bonds1

About 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 79633439) has the molecular formula C8H3Cl2F3N4 and a molecular weight of 283.04 g/mol. Its IUPAC name is 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID79633439
Molecular FormulaC8H3Cl2F3N4
Molecular Weight283.04 g/mol
Exact Mass281.97
IUPAC Name2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESFC(F)(F)c1ccn(-c2nc(Cl)ncc2Cl)n1
InChIInChI=1S/C8H3Cl2F3N4/c9-4-3-14-7(10)15-6(4)17-2-1-5(16-17)8(11,12)13/h1-3H
InChIKeyXBVGPKWUYXTBCF-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 79633439) is 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is FC(F)(F)c1ccn(-c2nc(Cl)ncc2Cl)n1.
What is the InChIKey of 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is XBVGPKWUYXTBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2F3N4/c9-4-3-14-7(10)15-6(4)17-2-1-5(16-17)8(11,12)13/h1-3H.
What are the key properties of 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 283.04 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 79633439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).