2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine

C20H20F3N3O2 — CID 141189670

IUPAC2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine
SMILESCc1cccc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C20H20F3N3O2/c1-13(2)15-11-24-26(16-8-4-5-9-18(16)28-20(21,22)23)17(15)12-27-19-10-6-7-14(3)25-19/h4-11,13H,12H2,1-3H3
InChIKeyDCWQYLOVERCCNZ-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.18
Rot. Bonds6

About 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine

2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine (PubChem CID 141189670) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine
PubChem CID141189670
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine
SMILESCc1cccc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C20H20F3N3O2/c1-13(2)15-11-24-26(16-8-4-5-9-18(16)28-20(21,22)23)17(15)12-27-19-10-6-7-14(3)25-19/h4-11,13H,12H2,1-3H3
InChIKeyDCWQYLOVERCCNZ-UHFFFAOYSA-N
XLogP5.18
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine?
The IUPAC name of 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine (CID 141189670) is 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine.
What is the SMILES notation for 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine?
The canonical SMILES for 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine is Cc1cccc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine?
The InChIKey is DCWQYLOVERCCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-13(2)15-11-24-26(16-8-4-5-9-18(16)28-20(21,22)23)17(15)12-27-19-10-6-7-14(3)25-19/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine?
2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine has a molecular weight of 391.39 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]pyrazol-5-yl]methoxy]pyridine is sourced from PubChem (CID 141189670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).