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

C21H18N4O — CID 135567148

IUPAC4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol
SMILESNc1cccc(-c2cccc(-c3c(N)n[nH]c3-c3ccc(O)cc3)c2)c1
InChIInChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)
InChIKeyBUIBXSQEEVVBFQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.28
Rot. Bonds3

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

4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol (PubChem CID 135567148) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol
PubChem CID135567148
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol
SMILESNc1cccc(-c2cccc(-c3c(N)n[nH]c3-c3ccc(O)cc3)c2)c1
InChIInChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)
InChIKeyBUIBXSQEEVVBFQ-UHFFFAOYSA-N
XLogP4.28
TPSA100.95 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
3'-Amino-5-[5-Amino-3-(4-Hydroxyphenyl)-1h-Pyrazol-4-Yl][1,1'-Biphenyl]-2-Ol
CID 135567149
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-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol?
The IUPAC name of 4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol (CID 135567148) is 4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol is Nc1cccc(-c2cccc(-c3c(N)n[nH]c3-c3ccc(O)cc3)c2)c1.
What is the InChIKey of 4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol?
The InChIKey is BUIBXSQEEVVBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25).
What are the key properties of 4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol?
4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol has a molecular weight of 342.40 g/mol, XLogP of 4.28, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-4-[3-(3-aminophenyl)phenyl]-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135567148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).