3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine

C12H11F4N3 — CID 142566374

IUPAC3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine
SMILESCC(C)n1cc(C(F)(F)F)c(-c2ncccc2F)n1
InChIInChI=1S/C12H11F4N3/c1-7(2)19-6-8(12(14,15)16)10(18-19)11-9(13)4-3-5-17-11/h3-7H,1-2H3
InChIKeyNAEPVKTXTYQVTE-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.68
Rot. Bonds2

About 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine

3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine (PubChem CID 142566374) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine
PubChem CID142566374
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine
SMILESCC(C)n1cc(C(F)(F)F)c(-c2ncccc2F)n1
InChIInChI=1S/C12H11F4N3/c1-7(2)19-6-8(12(14,15)16)10(18-19)11-9(13)4-3-5-17-11/h3-7H,1-2H3
InChIKeyNAEPVKTXTYQVTE-UHFFFAOYSA-N
XLogP3.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine?
The IUPAC name of 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine (CID 142566374) is 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine is CC(C)n1cc(C(F)(F)F)c(-c2ncccc2F)n1.
What is the InChIKey of 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine?
The InChIKey is NAEPVKTXTYQVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c1-7(2)19-6-8(12(14,15)16)10(18-19)11-9(13)4-3-5-17-11/h3-7H,1-2H3.
What are the key properties of 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine?
3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine has a molecular weight of 273.23 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[1-propan-2-yl-4-(trifluoromethyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 142566374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).