4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C17H13BrFN3O — CID 1225394

IUPAC4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H13BrFN3O/c18-14-5-3-13(4-6-14)17(23)21-16-9-20-22(11-16)10-12-1-7-15(19)8-2-12/h1-9,11H,10H2,(H,21,23)
InChIKeyONDZOUSLFIDBAO-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.09
Rot. Bonds4

About 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 1225394) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID1225394
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC Name4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H13BrFN3O/c18-14-5-3-13(4-6-14)17(23)21-16-9-20-22(11-16)10-12-1-7-15(19)8-2-12/h1-9,11H,10H2,(H,21,23)
InChIKeyONDZOUSLFIDBAO-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.21
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)-
CID 993965
N-(4-{N-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]ethanehydrazonoyl}phenyl)-4-fluorobenzamide
CID 5999204
4-{4-[(3-fluorobenzoyl)amino]-1H-pyrazol-1-yl}butanoic acid
CID 1505471
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2,2-diphenylacetamide
CID 2225156
4-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 708264
N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide
CID 51078647
4-{4-[(4-fluorobenzoyl)amino]-1H-pyrazol-1-yl}butanoic acid
CID 1505474
N-[1-(4-bromobenzyl)-1H-pyrazol-4-yl]acetamide
CID 1246322
N-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]benzamide
CID 2110820
2-[(4-fluorophenyl)methyl]-N-(1-methylpyrazol-4-yl)-1-oxoisoquinoline-4-carboxamide
CID 155559685
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2-phenylcyclopropanecarboxamide
CID 5226283
N-[(E)-1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-3-[3-(dimethylamino)propylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 2131991

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 1225394) is 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is ONDZOUSLFIDBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c18-14-5-3-13(4-6-14)17(23)21-16-9-20-22(11-16)10-12-1-7-15(19)8-2-12/h1-9,11H,10H2,(H,21,23).
What are the key properties of 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 374.21 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 1225394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).