4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole

C10H7F3N2O — CID 117233520

IUPAC4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
SMILESFC(F)(F)c1ccc(Oc2cn[nH]c2)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)16-9-5-14-15-6-9/h1-6H,(H,14,15)
InChIKeyUOSABZBQFZODLJ-UHFFFAOYSA-N
MW228.17 g/mol
LogP3.22
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole

4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole (PubChem CID 117233520) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
PubChem CID117233520
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
SMILESFC(F)(F)c1ccc(Oc2cn[nH]c2)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)16-9-5-14-15-6-9/h1-6H,(H,14,15)
InChIKeyUOSABZBQFZODLJ-UHFFFAOYSA-N
XLogP3.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylphenoxy)-1H-pyrazole
CID 97179605
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
CID 117233378
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880
5-[4-(trifluoromethyl)phenoxy]-1H-indazol-7-amine
CID 166073907
N-(1H-pyrazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 54897039
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-[4-(trifluoromethyl)phenoxy]benzene
CID 151658047
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol
CID 163225602
2-[4-(trifluoromethyl)phenoxy]-1H-imidazole-5-carboxylic acid
CID 117189542
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 171590489
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole?
The IUPAC name of 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole (CID 117233520) is 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole?
The canonical SMILES for 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole is FC(F)(F)c1ccc(Oc2cn[nH]c2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole?
The InChIKey is UOSABZBQFZODLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)7-1-3-8(4-2-7)16-9-5-14-15-6-9/h1-6H,(H,14,15).
What are the key properties of 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole?
4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole has a molecular weight of 228.17 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole is sourced from PubChem (CID 117233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).