4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

C16H12BrN3O — CID 19511285

IUPAC4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1[nH]ncc1Br
InChIInChI=1S/C16H12BrN3O/c17-14-10-18-20-15(14)16(21)19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,20)(H,19,21)
InChIKeyPLKKQBWAKGEKIL-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.09
Rot. Bonds3

About 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide

4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19511285) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19511285
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1[nH]ncc1Br
InChIInChI=1S/C16H12BrN3O/c17-14-10-18-20-15(14)16(21)19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,20)(H,19,21)
InChIKeyPLKKQBWAKGEKIL-UHFFFAOYSA-N
XLogP4.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(4-nitrophenyl)-1H-pyrazole-5-carboxamide
CID 19511190
4-bromo-N-(4-pyrazol-1-ylphenyl)-1H-pyrazole-5-carboxamide
CID 35535373
N-[3-[(4-bromo-1H-pyrazole-5-carbonyl)amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19511434
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
4-bromo-N-(3-phenylcyclobutyl)-1H-pyrazole-5-carboxamide
CID 75534688
4-bromo-N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1H-pyrazole-5-carboxamide
CID 19511265
4-bromo-N-[(E)-(2-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135442983
4-bromo-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19511226
5-methyl-N-(4-phenylphenyl)pyrazine-2-carboxamide
CID 7926006
N-[5-[(4-fluorophenyl)carbamoyl]-1H-pyrazol-4-yl]pyridine-2-carboxamide
CID 59733537
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 19511215

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide (CID 19511285) is 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PLKKQBWAKGEKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-14-10-18-20-15(14)16(21)19-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide?
4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 342.20 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).