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

C11H9F3N2O — CID 175321437

IUPAC1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole
SMILESFC(F)(F)c1cccc(COn2cccn2)c1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-4-1-3-9(7-10)8-17-16-6-2-5-15-16/h1-7H,8H2
InChIKeyQUBBKMXKAQNHPL-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.53
Rot. Bonds3

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

1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole (PubChem CID 175321437) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole
PubChem CID175321437
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole
SMILESFC(F)(F)c1cccc(COn2cccn2)c1
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-4-1-3-9(7-10)8-17-16-6-2-5-15-16/h1-7H,8H2
InChIKeyQUBBKMXKAQNHPL-UHFFFAOYSA-N
XLogP2.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzyloxy)-4-iodopyrazole
CID 10732942
1H-Pyrazole, 1-(phenylmethoxy)-
CID 10058015
1-(3-Phenylprop-2-enoxy)pyrazole
CID 126807494
1-[3,5-Bis(trifluoromethyl)phenoxy]pyrazole
CID 90752179
1-[2,4-Bis(trifluoromethyl)phenoxy]pyrazole
CID 91169868
1-[2,6-Bis(trifluoromethyl)phenoxy]pyrazole
CID 91447003
1-[2-(Trifluoromethyl)phenoxy]pyrazole
CID 173196006
1-[[4-(Trifluoromethyl)phenyl]methoxy]pyrazole
CID 174916921
1-[[2-(Trifluoromethyl)phenyl]methoxy]pyrazole
CID 175321344
5-Iodo-1-phenylmethoxypyrazole
CID 10063351
N-benzyloxy-4-methylpyrazole
CID 85807099
1-benzyloxy-5-tributylstannanyl-1H-pyrazole
CID 10479501

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole (CID 175321437) is 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole is FC(F)(F)c1cccc(COn2cccn2)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole?
The InChIKey is QUBBKMXKAQNHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10-4-1-3-9(7-10)8-17-16-6-2-5-15-16/h1-7H,8H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole?
1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole has a molecular weight of 242.20 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methoxy]pyrazole is sourced from PubChem (CID 175321437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).