4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C12H11F3N3O- — CID 140701070

IUPAC4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCOc1c(C)cnc(-c2cc(C(F)(F)F)n[n-]2)c1C
InChIInChI=1S/C12H11F3N3O/c1-6-5-16-10(7(2)11(6)19-3)8-4-9(18-17-8)12(13,14)15/h4-5H,1-3H3/q-1
InChIKeyMEWKHAFSMYYYNF-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.75
Rot. Bonds2

About 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 140701070) has the molecular formula C12H11F3N3O- and a molecular weight of 270.23 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
PubChem CID140701070
Molecular FormulaC12H11F3N3O-
Molecular Weight270.23 g/mol
Exact Mass270.09
IUPAC Name4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
SMILESCOc1c(C)cnc(-c2cc(C(F)(F)F)n[n-]2)c1C
InChIInChI=1S/C12H11F3N3O/c1-6-5-16-10(7(2)11(6)19-3)8-4-9(18-17-8)12(13,14)15/h4-5H,1-3H3/q-1
InChIKeyMEWKHAFSMYYYNF-UHFFFAOYSA-N
XLogP2.75
TPSA49.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The IUPAC name of 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 140701070) is 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The canonical SMILES for 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is COc1c(C)cnc(-c2cc(C(F)(F)F)n[n-]2)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
The InChIKey is MEWKHAFSMYYYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N3O/c1-6-5-16-10(7(2)11(6)19-3)8-4-9(18-17-8)12(13,14)15/h4-5H,1-3H3/q-1.
What are the key properties of 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?
4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 270.23 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 140701070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).