4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C11H10ClF3N4 — CID 80951095

IUPAC4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCC(C)c1nc(Cl)cc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H10ClF3N4/c1-6(2)10-16-8(12)5-9(17-10)19-4-3-7(18-19)11(13,14)15/h3-6H,1-2H3
InChIKeyNXDBBVGPKAUCCY-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.46
Rot. Bonds2

About 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 80951095) has the molecular formula C11H10ClF3N4 and a molecular weight of 290.68 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID80951095
Molecular FormulaC11H10ClF3N4
Molecular Weight290.68 g/mol
Exact Mass290.05
IUPAC Name4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCC(C)c1nc(Cl)cc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H10ClF3N4/c1-6(2)10-16-8(12)5-9(17-10)19-4-3-7(18-19)11(13,14)15/h3-6H,1-2H3
InChIKeyNXDBBVGPKAUCCY-UHFFFAOYSA-N
XLogP3.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 80951095) is 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is CC(C)c1nc(Cl)cc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is NXDBBVGPKAUCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4/c1-6(2)10-16-8(12)5-9(17-10)19-4-3-7(18-19)11(13,14)15/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 290.68 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 80951095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).