N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide

C23H15BrN4O — CID 11575863

IUPACN-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Br)c1
InChIInChI=1S/C23H15BrN4O/c24-19-11-4-5-12-21(19)28-22(14-20(27-28)17-8-2-1-3-9-17)26-23(29)18-10-6-7-16(13-18)15-25/h1-14H,(H,26,29)
InChIKeyLHFZHYTYWZEPBR-UHFFFAOYSA-N
MW443.30 g/mol
LogP5.43
Rot. Bonds4

About N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide

N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide (PubChem CID 11575863) has the molecular formula C23H15BrN4O and a molecular weight of 443.30 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide
PubChem CID11575863
Molecular FormulaC23H15BrN4O
Molecular Weight443.30 g/mol
Exact Mass442.04
IUPAC NameN-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide
SMILESN#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Br)c1
InChIInChI=1S/C23H15BrN4O/c24-19-11-4-5-12-21(19)28-22(14-20(27-28)17-8-2-1-3-9-17)26-23(29)18-10-6-7-16(13-18)15-25/h1-14H,(H,26,29)
InChIKeyLHFZHYTYWZEPBR-UHFFFAOYSA-N
XLogP5.43
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.30
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11245456
N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 4156919
4-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11574130
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-methylbenzamide
CID 11462332
3-trifluoromethyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11675856
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3,4-difluorobenzamide
CID 11222596
N-(1,3-diphenyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 11246786
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
CID 732509
4-tert-butyl-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide
CID 16030731
3-cyano-N-(1,4-diphenyl-1H-pyrazol-5-yl)benzamide
CID 11494297

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide?
The IUPAC name of N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide (CID 11575863) is N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide.
What is the SMILES notation for N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide?
The canonical SMILES for N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide is N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2Br)c1.
What is the InChIKey of N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide?
The InChIKey is LHFZHYTYWZEPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrN4O/c24-19-11-4-5-12-21(19)28-22(14-20(27-28)17-8-2-1-3-9-17)26-23(29)18-10-6-7-16(13-18)15-25/h1-14H,(H,26,29).
What are the key properties of N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide?
N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide has a molecular weight of 443.30 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)-3-phenylpyrazol-5-yl]-3-cyanobenzamide is sourced from PubChem (CID 11575863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).