3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide

C22H16BrN3O2 — CID 178135055

IUPAC3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C22H16BrN3O2/c23-16-8-6-15(7-9-16)21-20(14-26(25-21)18-4-2-1-3-5-18)22(28)24-17-10-12-19(27)13-11-17/h1-14,27H,(H,24,28)
InChIKeyILDAGHLTNDOZOO-UHFFFAOYSA-N
MW434.29 g/mol
LogP5.26
Rot. Bonds4

About 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide

3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 178135055) has the molecular formula C22H16BrN3O2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID178135055
Molecular FormulaC22H16BrN3O2
Molecular Weight434.29 g/mol
Exact Mass433.04
IUPAC Name3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C22H16BrN3O2/c23-16-8-6-15(7-9-16)21-20(14-26(25-21)18-4-2-1-3-5-18)22(28)24-17-10-12-19(27)13-11-17/h1-14,27H,(H,24,28)
InChIKeyILDAGHLTNDOZOO-UHFFFAOYSA-N
XLogP5.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.29
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide
CID 1068304
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2121799
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 178135055) is 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1ccc(O)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is ILDAGHLTNDOZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O2/c23-16-8-6-15(7-9-16)21-20(14-26(25-21)18-4-2-1-3-5-18)22(28)24-17-10-12-19(27)13-11-17/h1-14,27H,(H,24,28).
What are the key properties of 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 434.29 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 178135055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).