ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

C13H16F3N3 — CID 142831358

IUPACethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCC.CCc1ccc(-n2ccc(C(F)(F)F)n2)nc1
InChIInChI=1S/C11H10F3N3.C2H6/c1-2-8-3-4-10(15-7-8)17-6-5-9(16-17)11(12,13)14;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyYNQFNHOGGORZSD-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.87
Rot. Bonds2

About ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine

ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (PubChem CID 142831358) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Nameethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
PubChem CID142831358
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Nameethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
SMILESCC.CCc1ccc(-n2ccc(C(F)(F)F)n2)nc1
InChIInChI=1S/C11H10F3N3.C2H6/c1-2-8-3-4-10(15-7-8)17-6-5-9(16-17)11(12,13)14;1-2/h3-7H,2H2,1H3;1-2H3
InChIKeyYNQFNHOGGORZSD-UHFFFAOYSA-N
XLogP3.87
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 177229961
5-ethyl-2-(3-methyl-1,2,4-triazol-1-yl)pyridine
CID 142333101
ethane;2-(3-ethylpyrazol-1-yl)-5-fluoropyridine
CID 143496708
1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
CID 90484283
5-(bromomethyl)-2-(4-ethylpyrazol-1-yl)pyridine
CID 164655777
2-ethyl-N-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80938482
5-amino-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine-4-carboxamide
CID 114090520
4-chloro-2-propan-2-yl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 80951095
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 113320436
5-(bromomethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 107086174

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The IUPAC name of ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine (CID 142831358) is ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine.
What is the SMILES notation for ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The canonical SMILES for ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is CC.CCc1ccc(-n2ccc(C(F)(F)F)n2)nc1.
What is the InChIKey of ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
The InChIKey is YNQFNHOGGORZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3.C2H6/c1-2-8-3-4-10(15-7-8)17-6-5-9(16-17)11(12,13)14;1-2/h3-7H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine?
ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine has a molecular weight of 271.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 142831358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).