4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol

C21H18N4O2 — CID 135567149

IUPAC4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol
SMILESNc1cccc(-c2cc(-c3c(N)n[nH]c3-c3ccc(O)cc3)ccc2O)c1
InChIInChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25)
InChIKeyYIPHDXIYQIAWDD-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.99
Rot. Bonds3

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

4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol (PubChem CID 135567149) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol.

Molecular Properties

Compound Name4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol
PubChem CID135567149
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol
SMILESNc1cccc(-c2cc(-c3c(N)n[nH]c3-c3ccc(O)cc3)ccc2O)c1
InChIInChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25)
InChIKeyYIPHDXIYQIAWDD-UHFFFAOYSA-N
XLogP3.99
TPSA121.18 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Vrt-532
CID 781239
4-(3'-Amino[1,1'-Biphenyl]-3-Yl)-3-(4-Methoxyphenyl)-1h-Pyrazol-5-Amine
CID 118987034
4-[5-Amino-4-(3'-Amino[1,1'-Biphenyl]-3-Yl)-1h-Pyrazol-3-Yl]phenol
CID 135567148
4-methyl-2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775994
2-[5-(3-Fluoro-phenyl)-1H-pyrazol-3-yl]-4-methyl-phenol
CID 776006
2-[5-(2-fluorophenyl)-1H-pyrazol-3-yl]-4-methylphenol
CID 936854
4-(3-Amino-1H-indazol-6-yl)phenol
CID 135466441
2,6-ditert-butyl-4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136209373
2,6-ditert-butyl-4-[5-(4-hydroxyphenyl)-1H-pyrazol-3-yl]phenol
CID 136209378
4,4'-{3-[(4-Hydroxyphenyl)amino]-1h-Pyrazole-4,5-Diyl}diphenol
CID 135566832
4-(3-amino-4-phenyl-1H-pyrazol-5-yl)phenol
CID 136110947
4-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1H-pyrazol-5-yl]-2,6-diphenylphenol
CID 136209369

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol?
The IUPAC name of 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol (CID 135567149) is 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol.
What is the SMILES notation for 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol?
The canonical SMILES for 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol is Nc1cccc(-c2cc(-c3c(N)n[nH]c3-c3ccc(O)cc3)ccc2O)c1.
What is the InChIKey of 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol?
The InChIKey is YIPHDXIYQIAWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c22-15-3-1-2-13(10-15)17-11-14(6-9-18(17)27)19-20(24-25-21(19)23)12-4-7-16(26)8-5-12/h1-11,26-27H,22H2,(H3,23,24,25).
What are the key properties of 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol?
4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol has a molecular weight of 358.40 g/mol, XLogP of 3.99, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-5-(4-hydroxyphenyl)-1H-pyrazol-4-yl]-2-(3-aminophenyl)phenol is sourced from PubChem (CID 135567149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).