4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

C11H11F3N4 — CID 20697158

IUPAC4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCCc1nc(-n2ccc(C(F)(F)F)n2)ncc1C
InChIInChI=1S/C11H11F3N4/c1-3-8-7(2)6-15-10(16-8)18-5-4-9(17-18)11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyLWMJZUUHXWPIPH-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.55
Rot. Bonds2

About 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine

4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (PubChem CID 20697158) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
PubChem CID20697158
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
SMILESCCc1nc(-n2ccc(C(F)(F)F)n2)ncc1C
InChIInChI=1S/C11H11F3N4/c1-3-8-7(2)6-15-10(16-8)18-5-4-9(17-18)11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyLWMJZUUHXWPIPH-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine (CID 20697158) is 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is CCc1nc(-n2ccc(C(F)(F)F)n2)ncc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
The InChIKey is LWMJZUUHXWPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-3-8-7(2)6-15-10(16-8)18-5-4-9(17-18)11(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine?
4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine has a molecular weight of 256.23 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 20697158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).