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

C15H12FN3O2 — CID 139394026

IUPAC3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol
SMILESOc1ccc(-c2cc(Nc3ccc(O)cc3F)n[nH]2)cc1
InChIInChI=1S/C15H12FN3O2/c16-12-7-11(21)5-6-13(12)17-15-8-14(18-19-15)9-1-3-10(20)4-2-9/h1-8,20-21H,(H2,17,18,19)
InChIKeyPTTBBYITCSWOQH-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.37
Rot. Bonds3

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

3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol (PubChem CID 139394026) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol.

Molecular Properties

Compound Name3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol
PubChem CID139394026
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol
SMILESOc1ccc(-c2cc(Nc3ccc(O)cc3F)n[nH]2)cc1
InChIInChI=1S/C15H12FN3O2/c16-12-7-11(21)5-6-13(12)17-15-8-14(18-19-15)9-1-3-10(20)4-2-9/h1-8,20-21H,(H2,17,18,19)
InChIKeyPTTBBYITCSWOQH-UHFFFAOYSA-N
XLogP3.37
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.37
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 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol?
The IUPAC name of 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol (CID 139394026) is 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol.
What is the SMILES notation for 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol?
The canonical SMILES for 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol is Oc1ccc(-c2cc(Nc3ccc(O)cc3F)n[nH]2)cc1.
What is the InChIKey of 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol?
The InChIKey is PTTBBYITCSWOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-7-11(21)5-6-13(12)17-15-8-14(18-19-15)9-1-3-10(20)4-2-9/h1-8,20-21H,(H2,17,18,19).
What are the key properties of 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol?
3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol has a molecular weight of 285.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]phenol is sourced from PubChem (CID 139394026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).