N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide

C17H12BrClFN3O — CID 19287185

IUPACN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1nn(Cc2ccccc2Cl)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H12BrClFN3O/c18-14-10-23(9-12-3-1-2-4-15(12)19)22-16(14)21-17(24)11-5-7-13(20)8-6-11/h1-8,10H,9H2,(H,21,22,24)
InChIKeyIOAOYKLZRNZWDK-UHFFFAOYSA-N
MW408.66 g/mol
LogP4.74
Rot. Bonds4

About N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide (PubChem CID 19287185) has the molecular formula C17H12BrClFN3O and a molecular weight of 408.66 g/mol. Its IUPAC name is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
PubChem CID19287185
Molecular FormulaC17H12BrClFN3O
Molecular Weight408.66 g/mol
Exact Mass406.98
IUPAC NameN-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1nn(Cc2ccccc2Cl)cc1Br)c1ccc(F)cc1
InChIInChI=1S/C17H12BrClFN3O/c18-14-10-23(9-12-3-1-2-4-15(12)19)22-16(14)21-17(24)11-5-7-13(20)8-6-11/h1-8,10H,9H2,(H,21,22,24)
InChIKeyIOAOYKLZRNZWDK-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.66
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286996
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-ethylbenzamide
CID 19287145
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
2-bromo-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19287025
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19287124
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19287096
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19479317
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19287018
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19287180
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287808
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19286999

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide (CID 19287185) is N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide is O=C(Nc1nn(Cc2ccccc2Cl)cc1Br)c1ccc(F)cc1.
What is the InChIKey of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide?
The InChIKey is IOAOYKLZRNZWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClFN3O/c18-14-10-23(9-12-3-1-2-4-15(12)19)22-16(14)21-17(24)11-5-7-13(20)8-6-11/h1-8,10H,9H2,(H,21,22,24).
What are the key properties of N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide?
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide has a molecular weight of 408.66 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 19287185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).