1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone

C14H13F3N2O2 — CID 138664353

IUPAC1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1ccnn1CC(F)(F)F
InChIInChI=1S/C14H13F3N2O2/c1-10(20)12-4-2-3-5-13(12)21-8-11-6-7-18-19(11)9-14(15,16)17/h2-7H,8-9H2,1H3
InChIKeyMQIZZGZFKKAEFM-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.23
Rot. Bonds5

About 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone

1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone (PubChem CID 138664353) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone
PubChem CID138664353
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCc1ccnn1CC(F)(F)F
InChIInChI=1S/C14H13F3N2O2/c1-10(20)12-4-2-3-5-13(12)21-8-11-6-7-18-19(11)9-14(15,16)17/h2-7H,8-9H2,1H3
InChIKeyMQIZZGZFKKAEFM-UHFFFAOYSA-N
XLogP3.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-3,3-difluoro-2-hydroxy-3-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]propanoate
CID 146232868
1-[2-[[2-(1,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone
CID 175386633
1-[2-(1,2-oxazol-5-ylmethoxy)phenyl]ethanone
CID 28782316
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
ethyl (2R)-3-[2-[dideuterio-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]-3,3-difluoro-2-hydroxypropanoate
CID 153447745
2-methyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methylcarbamoyl]benzoic acid
CID 154846434
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782324
4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
CID 63882534
sodium 2-(2-acetylphenoxy)acetate
CID 23600043
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955
1-[2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267970

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone (CID 138664353) is 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone is CC(=O)c1ccccc1OCc1ccnn1CC(F)(F)F.
What is the InChIKey of 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone?
The InChIKey is MQIZZGZFKKAEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-10(20)12-4-2-3-5-13(12)21-8-11-6-7-18-19(11)9-14(15,16)17/h2-7H,8-9H2,1H3.
What are the key properties of 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone?
1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone has a molecular weight of 298.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 138664353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).