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

C12H12F3N3O — CID 118881717

IUPAC4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCOc1c(C)cnc(-c2cc(C(F)(F)F)[nH]n2)c1C
InChIInChI=1S/C12H12F3N3O/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,(H,17,18)
InChIKeyUJDXWCFTGGAVSO-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.12
Rot. Bonds2

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

4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 118881717) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID118881717
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCOc1c(C)cnc(-c2cc(C(F)(F)F)[nH]n2)c1C
InChIInChI=1S/C12H12F3N3O/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,(H,17,18)
InChIKeyUJDXWCFTGGAVSO-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 118881717) is 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is COc1c(C)cnc(-c2cc(C(F)(F)F)[nH]n2)c1C.
What is the InChIKey of 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is UJDXWCFTGGAVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/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,(H,17,18).
What are the key properties of 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 271.24 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,5-dimethyl-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 118881717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).