N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide

C16H12BrN3O — CID 2987881

IUPACN-(4-bromophenyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H12BrN3O/c17-13-4-6-14(7-5-13)19-16(21)12-2-8-15(9-3-12)20-11-1-10-18-20/h1-11H,(H,19,21)
InChIKeyMWDMFTCGXKCGJG-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.89
Rot. Bonds3

About N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide

N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide (PubChem CID 2987881) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-pyrazol-1-ylbenzamide
PubChem CID2987881
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-(4-bromophenyl)-4-pyrazol-1-ylbenzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H12BrN3O/c17-13-4-6-14(7-5-13)19-16(21)12-2-8-15(9-3-12)20-11-1-10-18-20/h1-11H,(H,19,21)
InChIKeyMWDMFTCGXKCGJG-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide (CID 2987881) is N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide is O=C(Nc1ccc(Br)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide?
The InChIKey is MWDMFTCGXKCGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-13-4-6-14(7-5-13)19-16(21)12-2-8-15(9-3-12)20-11-1-10-18-20/h1-11H,(H,19,21).
What are the key properties of N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide?
N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide has a molecular weight of 342.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 2987881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).