1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole

C12H11F3N2O — CID 123966991

IUPAC1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole
SMILESFC(F)(F)Oc1cccc(CCn2cccn2)c1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)18-11-4-1-3-10(9-11)5-8-17-7-2-6-16-17/h1-4,6-7,9H,5,8H2
InChIKeyVTWSPSWLPBDUAM-UHFFFAOYSA-N
MW256.23 g/mol
LogP3.02
Rot. Bonds4

About 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole

1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole (PubChem CID 123966991) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole.

Molecular Properties

Compound Name1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole
PubChem CID123966991
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole
SMILESFC(F)(F)Oc1cccc(CCn2cccn2)c1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)18-11-4-1-3-10(9-11)5-8-17-7-2-6-16-17/h1-4,6-7,9H,5,8H2
InChIKeyVTWSPSWLPBDUAM-UHFFFAOYSA-N
XLogP3.02
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-(trifluoromethoxy)benzene
CID 57030134
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
3-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 53434391
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 38944455
1-[3-(trifluoromethoxy)phenyl]hexan-3-amine
CID 64505790
1,5-bis[3-(trifluoromethoxy)phenyl]pentan-3-one
CID 150145529
4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209826
3-[3-(trifluoromethoxy)phenyl]propanoyl chloride
CID 22011082
1-(3-chlorobutyl)-3-(trifluoromethoxy)benzene
CID 64515626
1-[3-(trifluoromethoxy)phenyl]hexan-3-ol
CID 64513226
N-ethyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 24879056
2-imidazol-1-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643790

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole?
The IUPAC name of 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole (CID 123966991) is 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole.
What is the SMILES notation for 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole?
The canonical SMILES for 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole is FC(F)(F)Oc1cccc(CCn2cccn2)c1.
What is the InChIKey of 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole?
The InChIKey is VTWSPSWLPBDUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)18-11-4-1-3-10(9-11)5-8-17-7-2-6-16-17/h1-4,6-7,9H,5,8H2.
What are the key properties of 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole?
1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole has a molecular weight of 256.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(trifluoromethoxy)phenyl]ethyl]pyrazole is sourced from PubChem (CID 123966991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).