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

C16H14FN3O2 — CID 139391695

IUPAC2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol
SMILESCc1cc(O)c(F)cc1Nc1cc(-c2ccc(O)cc2)[nH]n1
InChIInChI=1S/C16H14FN3O2/c1-9-6-15(22)12(17)7-13(9)18-16-8-14(19-20-16)10-2-4-11(21)5-3-10/h2-8,21-22H,1H3,(H2,18,19,20)
InChIKeyAKWKXDHRODVHCB-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.68
Rot. Bonds3

About 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol

2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol (PubChem CID 139391695) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol.

Molecular Properties

Compound Name2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol
PubChem CID139391695
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol
SMILESCc1cc(O)c(F)cc1Nc1cc(-c2ccc(O)cc2)[nH]n1
InChIInChI=1S/C16H14FN3O2/c1-9-6-15(22)12(17)7-13(9)18-16-8-14(19-20-16)10-2-4-11(21)5-3-10/h2-8,21-22H,1H3,(H2,18,19,20)
InChIKeyAKWKXDHRODVHCB-UHFFFAOYSA-N
XLogP3.68
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.68
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

Anilinopyrazole deriv. 1f
CID 135435019
4,4'-{3-[(4-Hydroxyphenyl)amino]-1h-Pyrazole-4,5-Diyl}diphenol
CID 135566832
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-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 139391971
3-methyl-4-[[5-[4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenyl]-1H-pyrazol-3-yl]amino]phenol
CID 139392007
4-[3-(3-chloroanilino)-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]phenol
CID 136027088
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391735
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino-3-ethylphenol
CID 139391838
4-((5-(4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391966
3-(3-Fluoroanilino)-1,4-dihydroindeno[2,1-d]pyrazole-6,7-diol
CID 135772696
4-[[5-[4-(4-fluoropyrazol-1-yl)phenyl]-1H-pyrazol-3-yl]amino]-3-methylphenol
CID 139391667

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol?
The IUPAC name of 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol (CID 139391695) is 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol.
What is the SMILES notation for 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol?
The canonical SMILES for 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol is Cc1cc(O)c(F)cc1Nc1cc(-c2ccc(O)cc2)[nH]n1.
What is the InChIKey of 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol?
The InChIKey is AKWKXDHRODVHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9-6-15(22)12(17)7-13(9)18-16-8-14(19-20-16)10-2-4-11(21)5-3-10/h2-8,21-22H,1H3,(H2,18,19,20).
What are the key properties of 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol?
2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol has a molecular weight of 299.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol is sourced from PubChem (CID 139391695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).