2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine

C14H13F6N3 — CID 59946950

IUPAC2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)c(C)nc1-c1nn(C)c(C(F)(F)F)c1C
InChIInChI=1S/C14H13F6N3/c1-6-5-9(13(15,16)17)8(3)21-10(6)11-7(2)12(14(18,19)20)23(4)22-11/h5H,1-4H3
InChIKeyGQDWBIWETBTQCA-UHFFFAOYSA-N
MW337.27 g/mol
LogP4.44
Rot. Bonds1

About 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine

2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine (PubChem CID 59946950) has the molecular formula C14H13F6N3 and a molecular weight of 337.27 g/mol. Its IUPAC name is 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine
PubChem CID59946950
Molecular FormulaC14H13F6N3
Molecular Weight337.27 g/mol
Exact Mass337.10
IUPAC Name2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)(F)F)c(C)nc1-c1nn(C)c(C(F)(F)F)c1C
InChIInChI=1S/C14H13F6N3/c1-6-5-9(13(15,16)17)8(3)21-10(6)11-7(2)12(14(18,19)20)23(4)22-11/h5H,1-4H3
InChIKeyGQDWBIWETBTQCA-UHFFFAOYSA-N
XLogP4.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine (CID 59946950) is 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine is Cc1cc(C(F)(F)F)c(C)nc1-c1nn(C)c(C(F)(F)F)c1C.
What is the InChIKey of 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine?
The InChIKey is GQDWBIWETBTQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6N3/c1-6-5-9(13(15,16)17)8(3)21-10(6)11-7(2)12(14(18,19)20)23(4)22-11/h5H,1-4H3.
What are the key properties of 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine?
2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine has a molecular weight of 337.27 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dimethyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 59946950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).