4-[5-(trifluoromethyl)pyrazol-1-yl]phenol

C10H7F3N2O — CID 66739088

IUPAC4-[5-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)9-5-6-14-15(9)7-1-3-8(16)4-2-7/h1-6,16H
InChIKeyDBOXXVVNGXBTMD-UHFFFAOYSA-N
MW228.17 g/mol
LogP2.60
Rot. Bonds1

About 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol

4-[5-(trifluoromethyl)pyrazol-1-yl]phenol (PubChem CID 66739088) has the molecular formula C10H7F3N2O and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)pyrazol-1-yl]phenol
PubChem CID66739088
Molecular FormulaC10H7F3N2O
Molecular Weight228.17 g/mol
Exact Mass228.05
IUPAC Name4-[5-(trifluoromethyl)pyrazol-1-yl]phenol
SMILESOc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O/c11-10(12,13)9-5-6-14-15(9)7-1-3-8(16)4-2-7/h1-6,16H
InChIKeyDBOXXVVNGXBTMD-UHFFFAOYSA-N
XLogP2.60
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol?
The IUPAC name of 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol (CID 66739088) is 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol is Oc1ccc(-n2nccc2C(F)(F)F)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol?
The InChIKey is DBOXXVVNGXBTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O/c11-10(12,13)9-5-6-14-15(9)7-1-3-8(16)4-2-7/h1-6,16H.
What are the key properties of 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol?
4-[5-(trifluoromethyl)pyrazol-1-yl]phenol has a molecular weight of 228.17 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)pyrazol-1-yl]phenol is sourced from PubChem (CID 66739088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).