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

C16H20F3N5 — CID 123573897

IUPAC5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC(n3cc(C)c(C(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C16H20F3N5/c1-3-12-8-20-15(21-9-12)23-6-4-13(5-7-23)24-10-11(2)14(22-24)16(17,18)19/h8-10,13H,3-7H2,1-2H3
InChIKeyWAJLOSNTCOEZNU-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.40
Rot. Bonds3

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

5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 123573897) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
PubChem CID123573897
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC Name5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine
SMILESCCc1cnc(N2CCC(n3cc(C)c(C(F)(F)F)n3)CC2)nc1
InChIInChI=1S/C16H20F3N5/c1-3-12-8-20-15(21-9-12)23-6-4-13(5-7-23)24-10-11(2)14(22-24)16(17,18)19/h8-10,13H,3-7H2,1-2H3
InChIKeyWAJLOSNTCOEZNU-UHFFFAOYSA-N
XLogP3.40
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine (CID 123573897) is 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is CCc1cnc(N2CCC(n3cc(C)c(C(F)(F)F)n3)CC2)nc1.
What is the InChIKey of 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is WAJLOSNTCOEZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-3-12-8-20-15(21-9-12)23-6-4-13(5-7-23)24-10-11(2)14(22-24)16(17,18)19/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine?
5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 339.37 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 123573897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).