2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine

C19H18F3N3O — CID 122180735

IUPAC2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine
SMILESCCOc1nn(-c2cccc(C(F)(F)F)n2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H18F3N3O/c1-3-26-18-15(12-14-8-5-4-6-9-14)13(2)25(24-18)17-11-7-10-16(23-17)19(20,21)22/h4-11H,3,12H2,1-2H3
InChIKeyDVHHOGBYZMVNDC-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.58
Rot. Bonds5

About 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine

2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine (PubChem CID 122180735) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine
PubChem CID122180735
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine
SMILESCCOc1nn(-c2cccc(C(F)(F)F)n2)c(C)c1Cc1ccccc1
InChIInChI=1S/C19H18F3N3O/c1-3-26-18-15(12-14-8-5-4-6-9-14)13(2)25(24-18)17-11-7-10-16(23-17)19(20,21)22/h4-11H,3,12H2,1-2H3
InChIKeyDVHHOGBYZMVNDC-UHFFFAOYSA-N
XLogP4.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine (CID 122180735) is 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine is CCOc1nn(-c2cccc(C(F)(F)F)n2)c(C)c1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine?
The InChIKey is DVHHOGBYZMVNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-3-26-18-15(12-14-8-5-4-6-9-14)13(2)25(24-18)17-11-7-10-16(23-17)19(20,21)22/h4-11H,3,12H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine?
2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine has a molecular weight of 361.37 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-ethoxy-5-methylpyrazol-1-yl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 122180735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).