1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole

C12H11F3N2 — CID 141400158

IUPAC1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
SMILESCC(c1cccc(C(F)(F)F)c1)n1cccn1
InChIInChI=1S/C12H11F3N2/c1-9(17-7-3-6-16-17)10-4-2-5-11(8-10)12(13,14)15/h2-9H,1H3
InChIKeyDGIBVUFJGFLANL-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.51
Rot. Bonds2

About 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole

1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole (PubChem CID 141400158) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
PubChem CID141400158
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
SMILESCC(c1cccc(C(F)(F)F)c1)n1cccn1
InChIInChI=1S/C12H11F3N2/c1-9(17-7-3-6-16-17)10-4-2-5-11(8-10)12(13,14)15/h2-9H,1H3
InChIKeyDGIBVUFJGFLANL-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
CID 175818339
1-[(1S)-1-(3-ethynylphenyl)ethyl]pyrazole
CID 141433628
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
CID 162573398
CID 162573398
2-(pyrazol-1-ylmethyl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 96508313
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole?
The IUPAC name of 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole (CID 141400158) is 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole is CC(c1cccc(C(F)(F)F)c1)n1cccn1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole?
The InChIKey is DGIBVUFJGFLANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-9(17-7-3-6-16-17)10-4-2-5-11(8-10)12(13,14)15/h2-9H,1H3.
What are the key properties of 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole?
1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole has a molecular weight of 240.23 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole is sourced from PubChem (CID 141400158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).