3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C17H13BrFN3O — CID 19336537

IUPAC3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cccc(Br)c1
InChIInChI=1S/C17H13BrFN3O/c18-14-5-2-4-13(8-14)17(23)21-16-9-20-22(11-16)10-12-3-1-6-15(19)7-12/h1-9,11H,10H2,(H,21,23)
InChIKeyHXTQRBIOAAPFDH-UHFFFAOYSA-N
MW374.21 g/mol
LogP4.09
Rot. Bonds4

About 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide

3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19336537) has the molecular formula C17H13BrFN3O and a molecular weight of 374.21 g/mol. Its IUPAC name is 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19336537
Molecular FormulaC17H13BrFN3O
Molecular Weight374.21 g/mol
Exact Mass373.02
IUPAC Name3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cccc(Br)c1
InChIInChI=1S/C17H13BrFN3O/c18-14-5-2-4-13(8-14)17(23)21-16-9-20-22(11-16)10-12-3-1-6-15(19)7-12/h1-9,11H,10H2,(H,21,23)
InChIKeyHXTQRBIOAAPFDH-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

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
3,4-diethoxy-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336383
3-(1,3-dioxoisoindol-2-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336412
4-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475123
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19336423
3-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19346457
3-[(4-bromopyrazol-1-yl)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340408

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19336537) is 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is HXTQRBIOAAPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN3O/c18-14-5-2-4-13(8-14)17(23)21-16-9-20-22(11-16)10-12-3-1-6-15(19)7-12/h1-9,11H,10H2,(H,21,23).
What are the key properties of 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
3-bromo-N-[1-[(3-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 3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19336537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).