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

C15H11F2N3O2 — CID 139391905

IUPAC2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)c(F)c1
InChIInChI=1S/C15H11F2N3O2/c16-10-6-9(21)2-3-12(10)18-15-7-13(19-20-15)8-1-4-14(22)11(17)5-8/h1-7,21-22H,(H2,18,19,20)
InChIKeyFPSFYSNUUPYYPE-UHFFFAOYSA-N
MW303.27 g/mol
LogP3.51
Rot. Bonds3

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

2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol (PubChem CID 139391905) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
PubChem CID139391905
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)c(F)c1
InChIInChI=1S/C15H11F2N3O2/c16-10-6-9(21)2-3-12(10)18-15-7-13(19-20-15)8-1-4-14(22)11(17)5-8/h1-7,21-22H,(H2,18,19,20)
InChIKeyFPSFYSNUUPYYPE-UHFFFAOYSA-N
XLogP3.51
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 53.51
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

2-(dimethylamino)-N-[4-[[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-3-methylphenyl]acetamide
CID 139391901
4-[[5-[4-(4-bromophenyl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139405684
4-[[5-(6-chloro-3-pyridinyl)-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139391743
3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
CID 175799385
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 520956
4-[3-[5-(hydroxymethyl)-2-methylanilino]-1H-pyrazol-5-yl]phenol
CID 139405792
3-fluoro-4-[[2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]phenol
CID 118930200
2-fluorobenzene-1,4-diol;phosphoric acid
CID 131985559
4-[4-[3-[4-[(cyclopropylmethylamino)methyl]anilino]-1H-pyrazol-5-yl]phenyl]benzene-1,3-diol
CID 135483511
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
2-fluoro-4-(2-methyl-4-pyridinyl)phenol
CID 136955345
2-(3-fluoro-4-hydroxyphenyl)-4-pyridin-4-ylquinolin-6-ol
CID 135524885

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol (CID 139391905) is 2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol is Oc1ccc(Nc2cc(-c3ccc(O)c(F)c3)[nH]n2)c(F)c1.
What is the InChIKey of 2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The InChIKey is FPSFYSNUUPYYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-10-6-9(21)2-3-12(10)18-15-7-13(19-20-15)8-1-4-14(22)11(17)5-8/h1-7,21-22H,(H2,18,19,20).
What are the key properties of 2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
2-fluoro-4-[3-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol has a molecular weight of 303.27 g/mol, XLogP of 3.51, 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-(2-fluoro-4-hydroxyanilino)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 139391905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).