4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine

C12H12F3N3 — CID 90247456

IUPAC4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine
SMILESCCc1cc(C)n(-c2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H12F3N3/c1-3-9-6-8(2)18(17-9)10-4-5-16-11(7-10)12(13,14)15/h4-7H,3H2,1-2H3
InChIKeyYVWXVLOWNXTURR-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.16
Rot. Bonds2

About 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine

4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine (PubChem CID 90247456) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine
PubChem CID90247456
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine
SMILESCCc1cc(C)n(-c2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H12F3N3/c1-3-9-6-8(2)18(17-9)10-4-5-16-11(7-10)12(13,14)15/h4-7H,3H2,1-2H3
InChIKeyYVWXVLOWNXTURR-UHFFFAOYSA-N
XLogP3.16
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine (CID 90247456) is 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine is CCc1cc(C)n(-c2ccnc(C(F)(F)F)c2)n1.
What is the InChIKey of 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is YVWXVLOWNXTURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-3-9-6-8(2)18(17-9)10-4-5-16-11(7-10)12(13,14)15/h4-7H,3H2,1-2H3.
What are the key properties of 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine?
4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 255.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-5-methylpyrazol-1-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 90247456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).