2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol

C15H12FN3O2 — CID 139405423

IUPAC2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)cc1
InChIInChI=1S/C15H12FN3O2/c16-12-7-9(1-6-14(12)21)13-8-15(19-18-13)17-10-2-4-11(20)5-3-10/h1-8,20-21H,(H2,17,18,19)
InChIKeyHZXBPTVNQALJDS-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.37
Rot. Bonds3

About 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol

2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol (PubChem CID 139405423) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
PubChem CID139405423
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)cc1
InChIInChI=1S/C15H12FN3O2/c16-12-7-9(1-6-14(12)21)13-8-15(19-18-13)17-10-2-4-11(20)5-3-10/h1-8,20-21H,(H2,17,18,19)
InChIKeyHZXBPTVNQALJDS-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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Related Compounds

4-{[3-(3-hydroxyphenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539620
Anilinopyrazole deriv. 1f
CID 135435019
4''-(5-phenylamino-2H-pyrazol-3-yl)-biphenyl-2,4-diol
CID 135461992
4,4'-{3-[(4-Hydroxyphenyl)amino]-1h-Pyrazole-4,5-Diyl}diphenol
CID 135566832
4,4'-(5-{[(4-Hydroxyphenyl)methyl]amino}-1h-Pyrazole-3,4-Diyl)diphenol
CID 135567151
4-{5-[(4-Hydroxyphenyl)amino]-1h-Pyrazol-3-Yl}phenol
CID 135567152
3-Anilino-1,4-dihydroindeno[2,1-d]pyrazol-6-ol
CID 137090969
4-[3-(3-chloroanilino)-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]phenol
CID 136027088
4-(5-amino-1H-pyrazol-3-yl)phenol
CID 136068797
5-fluoro-2-[[(6-fluoro-1H-indazol-3-yl)amino]methyl]phenol
CID 164613475
4-((5-(4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391966
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(2-fluoro-4-hydroxyphenyl)urea
CID 59557922

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol (CID 139405423) is 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol is Oc1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)cc1.
What is the InChIKey of 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The InChIKey is HZXBPTVNQALJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-12-7-9(1-6-14(12)21)13-8-15(19-18-13)17-10-2-4-11(20)5-3-10/h1-8,20-21H,(H2,17,18,19).
What are the key properties of 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]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 2-fluoro-4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 139405423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).