3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

C17H14F3N3O2 — CID 135235794

IUPAC3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCOc1c(-c2cccnc2Oc2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C17H14F3N3O2/c1-23-16(24-2)14(10-22-23)13-4-3-9-21-15(13)25-12-7-5-11(6-8-12)17(18,19)20/h3-10H,1-2H3
InChIKeyVVCDKMYMVREPDE-UHFFFAOYSA-N
MW349.31 g/mol
LogP4.30
Rot. Bonds4

About 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 135235794) has the molecular formula C17H14F3N3O2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
PubChem CID135235794
Molecular FormulaC17H14F3N3O2
Molecular Weight349.31 g/mol
Exact Mass349.10
IUPAC Name3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCOc1c(-c2cccnc2Oc2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C17H14F3N3O2/c1-23-16(24-2)14(10-22-23)13-4-3-9-21-15(13)25-12-7-5-11(6-8-12)17(18,19)20/h3-10H,1-2H3
InChIKeyVVCDKMYMVREPDE-UHFFFAOYSA-N
XLogP4.30
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine (CID 135235794) is 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine is COc1c(-c2cccnc2Oc2ccc(C(F)(F)F)cc2)cnn1C.
What is the InChIKey of 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is VVCDKMYMVREPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2/c1-23-16(24-2)14(10-22-23)13-4-3-9-21-15(13)25-12-7-5-11(6-8-12)17(18,19)20/h3-10H,1-2H3.
What are the key properties of 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 349.31 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1-methylpyrazol-4-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 135235794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).