3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide

C22H16BrN3O — CID 1339749

IUPAC3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C22H16BrN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
InChIKeyFEQZGZFTPOPXJC-UHFFFAOYSA-N
MW418.29 g/mol
LogP5.55
Rot. Bonds4

About 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide

3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide (PubChem CID 1339749) has the molecular formula C22H16BrN3O and a molecular weight of 418.29 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
PubChem CID1339749
Molecular FormulaC22H16BrN3O
Molecular Weight418.29 g/mol
Exact Mass417.05
IUPAC Name3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C22H16BrN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27)
InChIKeyFEQZGZFTPOPXJC-UHFFFAOYSA-N
XLogP5.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 178135055
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(4-tert-butylphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 7914296
3-(4-bromophenyl)-N-phenacyl-1-phenylpyrazole-4-carboxamide
CID 1068304
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
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
N-(4-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150426452
N-(3-methylphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 150668584

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide (CID 1339749) is 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide is O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide?
The InChIKey is FEQZGZFTPOPXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27).
What are the key properties of 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide?
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide has a molecular weight of 418.29 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 1339749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).