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

C15H13N3O2 — CID 135567152

IUPAC4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(O)cc3)[nH]n2)cc1
InChIInChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18)
InChIKeyAWPPGEGXTUMWMX-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.23
Rot. Bonds3

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

4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol (PubChem CID 135567152) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
PubChem CID135567152
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol
SMILESOc1ccc(Nc2cc(-c3ccc(O)cc3)[nH]n2)cc1
InChIInChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18)
InChIKeyAWPPGEGXTUMWMX-UHFFFAOYSA-N
XLogP3.23
TPSA81.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.23
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-(3-amino-4-phenyl-1H-pyrazol-5-yl)phenol
CID 136110947
3-Anilino-1,4-dihydroindeno[2,1-d]pyrazol-6-ol
CID 137090969
4,4'-(5-Amino-1H-pyrazole-3,4-diyl)bis[phenol]
CID 135566830
4-[3-(3-chloroanilino)-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]phenol
CID 136027088
4-(5-amino-1H-pyrazol-3-yl)phenol
CID 136068797
4-((5-(4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391966
2-fluoro-4-[[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]amino]-5-methylphenol
CID 139391695

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol (CID 135567152) is 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol is Oc1ccc(Nc2cc(-c3ccc(O)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
The InChIKey is AWPPGEGXTUMWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18).
What are the key properties of 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol?
4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyanilino)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135567152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).