4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C10H8ClF3N4 — CID 55228942

IUPAC4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCCc1c(Cl)ncnc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H8ClF3N4/c1-2-6-8(11)15-5-16-9(6)18-4-3-7(17-18)10(12,13)14/h3-5H,2H2,1H3
InChIKeyVVYCPDWVINIWRH-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.90
Rot. Bonds2

About 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 55228942) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID55228942
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCCc1c(Cl)ncnc1-n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H8ClF3N4/c1-2-6-8(11)15-5-16-9(6)18-4-3-7(17-18)10(12,13)14/h3-5H,2H2,1H3
InChIKeyVVYCPDWVINIWRH-UHFFFAOYSA-N
XLogP2.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 55228942) is 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is CCc1c(Cl)ncnc1-n1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is VVYCPDWVINIWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c1-2-6-8(11)15-5-16-9(6)18-4-3-7(17-18)10(12,13)14/h3-5H,2H2,1H3.
What are the key properties of 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 276.65 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 55228942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).