4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol

C16H12F3N3O2 — CID 139391706

IUPAC4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol
SMILESOc1ccc(-c2cc(Nc3ccc(O)cc3C(F)(F)F)n[nH]2)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)12-7-11(24)5-6-13(12)20-15-8-14(21-22-15)9-1-3-10(23)4-2-9/h1-8,23-24H,(H2,20,21,22)
InChIKeyFHOFQMCOIWZKFU-UHFFFAOYSA-N
MW335.29 g/mol
LogP4.25
Rot. Bonds3

About 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol

4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol (PubChem CID 139391706) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol
PubChem CID139391706
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol
SMILESOc1ccc(-c2cc(Nc3ccc(O)cc3C(F)(F)F)n[nH]2)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)12-7-11(24)5-6-13(12)20-15-8-14(21-22-15)9-1-3-10(23)4-2-9/h1-8,23-24H,(H2,20,21,22)
InChIKeyFHOFQMCOIWZKFU-UHFFFAOYSA-N
XLogP4.25
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol?
The IUPAC name of 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol (CID 139391706) is 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol is Oc1ccc(-c2cc(Nc3ccc(O)cc3C(F)(F)F)n[nH]2)cc1.
What is the InChIKey of 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol?
The InChIKey is FHOFQMCOIWZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)12-7-11(24)5-6-13(12)20-15-8-14(21-22-15)9-1-3-10(23)4-2-9/h1-8,23-24H,(H2,20,21,22).
What are the key properties of 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol?
4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol has a molecular weight of 335.29 g/mol, XLogP of 4.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-(trifluoromethyl)phenol is sourced from PubChem (CID 139391706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).