4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol

C15H10F2N2O2 — CID 142637138

IUPAC4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol
SMILESOc1ccc(-c2cc(-c3ccc(F)cc3F)[nH]n2)cc1O
InChIInChI=1S/C15H10F2N2O2/c16-9-2-3-10(11(17)6-9)13-7-12(18-19-13)8-1-4-14(20)15(21)5-8/h1-7,20-21H,(H,18,19)
InChIKeyYWTZHGUQXWNSPL-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.43
Rot. Bonds2

About 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol

4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol (PubChem CID 142637138) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol
PubChem CID142637138
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol
SMILESOc1ccc(-c2cc(-c3ccc(F)cc3F)[nH]n2)cc1O
InChIInChI=1S/C15H10F2N2O2/c16-9-2-3-10(11(17)6-9)13-7-12(18-19-13)8-1-4-14(20)15(21)5-8/h1-7,20-21H,(H,18,19)
InChIKeyYWTZHGUQXWNSPL-UHFFFAOYSA-N
XLogP3.43
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-5-(2,5-difluorophenyl)-1H-pyrazole
CID 67759328
4-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diol
CID 136610688
3-[5-(2,5-difluorophenyl)-1H-pyrazol-3-yl]benzoic acid
CID 141357515
2-chloro-5-(2,4-difluorophenyl)phenol
CID 53221267
4-methyl-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
CID 781234
5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol
CID 174707193
4-(2,4-difluorophenyl)-2-methylphenol
CID 53218882
N-[4-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]phenyl]cyclobutanecarboxamide
CID 155106413
2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol
CID 137186634
4-(2,4-difluorophenyl)-2-ethylphenol
CID 59810220
(2R)-2-[3-fluoro-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]phenyl]morpholine
CID 71656716
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(2-fluorophenyl)-1H-pyrazole
CID 59363980

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol?
The IUPAC name of 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol (CID 142637138) is 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol?
The canonical SMILES for 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol is Oc1ccc(-c2cc(-c3ccc(F)cc3F)[nH]n2)cc1O.
What is the InChIKey of 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol?
The InChIKey is YWTZHGUQXWNSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-9-2-3-10(11(17)6-9)13-7-12(18-19-13)8-1-4-14(20)15(21)5-8/h1-7,20-21H,(H,18,19).
What are the key properties of 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol?
4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol has a molecular weight of 288.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,4-difluorophenyl)-1H-pyrazol-3-yl]benzene-1,2-diol is sourced from PubChem (CID 142637138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).