2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide

C17H14BrN3O — CID 19524588

IUPAC2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14BrN3O/c18-15-10-19-21(11-15)12-17(22)20-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22)
InChIKeyRUWRGVBUQSOTDU-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide

2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide (PubChem CID 19524588) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
PubChem CID19524588
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide
SMILESO=C(Cn1cc(Br)cn1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H14BrN3O/c18-15-10-19-21(11-15)12-17(22)20-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22)
InChIKeyRUWRGVBUQSOTDU-UHFFFAOYSA-N
XLogP3.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromopyrazol-1-yl)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19271730
2-(4-bromopyrazol-1-yl)-N-(3-methylphenyl)acetamide
CID 60865505
N-(4-bromo-3-methylphenyl)-2-(4-bromopyrazol-1-yl)acetamide
CID 47263148
N-(4-bromophenyl)-2-(4-phenyltriazol-1-yl)acetamide
CID 138373884
2-(4-bromopyrazol-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 47263262
1-[2-(3-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 43565364
2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-(4-bromopyrazol-1-yl)-N-(3,3-diphenylpropyl)acetamide
CID 52666297
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
ethyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrazole-4-carboxylate
CID 79959571
1-[2-(4-acetylanilino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502529
2-(4-phenylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 99133443

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide (CID 19524588) is 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide is O=C(Cn1cc(Br)cn1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide?
The InChIKey is RUWRGVBUQSOTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-15-10-19-21(11-15)12-17(22)20-16-8-6-14(7-9-16)13-4-2-1-3-5-13/h1-11H,12H2,(H,20,22).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide?
2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide has a molecular weight of 356.22 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 19524588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).