4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine

C16H11F6N3OS — CID 18924603

IUPAC4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine
SMILESCc1cc(Oc2cc(C(F)(F)F)nn2C)nc(-c2ccc(C(F)(F)F)s2)c1
InChIInChI=1S/C16H11F6N3OS/c1-8-5-9(10-3-4-12(27-10)16(20,21)22)23-13(6-8)26-14-7-11(15(17,18)19)24-25(14)2/h3-7H,1-2H3
InChIKeyMOXMPSPVHXAOKT-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.68
Rot. Bonds3

About 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine

4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine (PubChem CID 18924603) has the molecular formula C16H11F6N3OS and a molecular weight of 407.34 g/mol. Its IUPAC name is 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine
PubChem CID18924603
Molecular FormulaC16H11F6N3OS
Molecular Weight407.34 g/mol
Exact Mass407.05
IUPAC Name4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine
SMILESCc1cc(Oc2cc(C(F)(F)F)nn2C)nc(-c2ccc(C(F)(F)F)s2)c1
InChIInChI=1S/C16H11F6N3OS/c1-8-5-9(10-3-4-12(27-10)16(20,21)22)23-13(6-8)26-14-7-11(15(17,18)19)24-25(14)2/h3-7H,1-2H3
InChIKeyMOXMPSPVHXAOKT-UHFFFAOYSA-N
XLogP5.68
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The IUPAC name of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine (CID 18924603) is 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine.
What is the SMILES notation for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The canonical SMILES for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine is Cc1cc(Oc2cc(C(F)(F)F)nn2C)nc(-c2ccc(C(F)(F)F)s2)c1.
What is the InChIKey of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
The InChIKey is MOXMPSPVHXAOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6N3OS/c1-8-5-9(10-3-4-12(27-10)16(20,21)22)23-13(6-8)26-14-7-11(15(17,18)19)24-25(14)2/h3-7H,1-2H3.
What are the key properties of 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine?
4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine has a molecular weight of 407.34 g/mol, XLogP of 5.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxy-6-[5-(trifluoromethyl)thiophen-2-yl]pyridine is sourced from PubChem (CID 18924603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).