5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine

C21H20F3N3O2 — CID 118430405

IUPAC5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2/c1-3-28-20-19(29-17-6-4-5-16(11-17)21(22,23)24)13(2)27(26-20)18-10-9-15(12-25-18)14-7-8-14/h4-6,9-12,14H,3,7-8H2,1-2H3
InChIKeyLKEOHLUHUALQFR-UHFFFAOYSA-N
MW403.40 g/mol
LogP5.66
Rot. Bonds6

About 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine

5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine (PubChem CID 118430405) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
PubChem CID118430405
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC Name5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H20F3N3O2/c1-3-28-20-19(29-17-6-4-5-16(11-17)21(22,23)24)13(2)27(26-20)18-10-9-15(12-25-18)14-7-8-14/h4-6,9-12,14H,3,7-8H2,1-2H3
InChIKeyLKEOHLUHUALQFR-UHFFFAOYSA-N
XLogP5.66
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.40
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine (CID 118430405) is 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine is CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine?
The InChIKey is LKEOHLUHUALQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-3-28-20-19(29-17-6-4-5-16(11-17)21(22,23)24)13(2)27(26-20)18-10-9-15(12-25-18)14-7-8-14/h4-6,9-12,14H,3,7-8H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine?
5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine has a molecular weight of 403.40 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[3-ethoxy-5-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazol-1-yl]pyridine is sourced from PubChem (CID 118430405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).