2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

C12H12F3N3 — CID 66016715

IUPAC2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H12F3N3/c1-8(2)10-5-6-18(17-10)11-4-3-9(7-16-11)12(13,14)15/h3-8H,1-2H3
InChIKeyUTENLHVLGNKTAK-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.41
Rot. Bonds2

About 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine

2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 66016715) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID66016715
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESCC(C)c1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C12H12F3N3/c1-8(2)10-5-6-18(17-10)11-4-3-9(7-16-11)12(13,14)15/h3-8H,1-2H3
InChIKeyUTENLHVLGNKTAK-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine (CID 66016715) is 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is CC(C)c1ccn(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is UTENLHVLGNKTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-8(2)10-5-6-18(17-10)11-4-3-9(7-16-11)12(13,14)15/h3-8H,1-2H3.
What are the key properties of 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 255.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylpyrazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 66016715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).