5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

C10H7F3N2O — CID 2777347

IUPAC5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)16-8-3-1-7(2-4-8)9-5-6-14-15-9/h1-6H,(H,14,15)
InChIKeyFBNMLMRUGSDQJL-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.98
Rot. Bonds2

About 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole

5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole (PubChem CID 2777347) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
PubChem CID2777347
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole
SMILESFC(F)(F)Oc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)16-8-3-1-7(2-4-8)9-5-6-14-15-9/h1-6H,(H,14,15)
InChIKeyFBNMLMRUGSDQJL-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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The IUPAC name of 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole (CID 2777347) is 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole is FC(F)(F)Oc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
The InChIKey is FBNMLMRUGSDQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)16-8-3-1-7(2-4-8)9-5-6-14-15-9/h1-6H,(H,14,15).
What are the key properties of 5-[4-(trifluoromethoxy)phenyl]-1H-pyrazole?
5-[4-(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-[4-(trifluoromethoxy)phenyl]-1H-pyrazole is sourced from PubChem (CID 2777347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).