5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole

C10H7F3N2O — CID 141330218

IUPAC5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)16-9-4-2-1-3-7(9)8-5-6-14-15-8/h1-6H,(H,14,15)
InChIKeyYRHKJMJSDIBQAU-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.98
Rot. Bonds2

About 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole

5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 141330218) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole
PubChem CID141330218
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccccc1-c1ccn[nH]1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)16-9-4-2-1-3-7(9)8-5-6-14-15-8/h1-6H,(H,14,15)
InChIKeyYRHKJMJSDIBQAU-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

o-(1H-pyrazol-3-yl)phenol
CID 819511
5-(4-phenoxyphenyl)-1H-pyrazole
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4-Fluoro-2-(1H-pyrazol-3-yl)phenol
CID 5068606
3-(2-methoxyphenyl)-1H-pyrazol-5-amine
CID 3240675
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
4-Methoxy-1H-indazole
CID 24729333
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 745487
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
2,4-difluoro-6-(1H-pyrazol-5-yl)phenol
CID 2804885

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole (CID 141330218) is 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole is FC(F)(F)Oc1ccccc1-c1ccn[nH]1.
What is the InChIKey of 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is YRHKJMJSDIBQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)16-9-4-2-1-3-7(9)8-5-6-14-15-8/h1-6H,(H,14,15).
What are the key properties of 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole?
5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole has a molecular weight of 228.17 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 141330218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).