4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide

C24H19BrFN3O2 — CID 997139

IUPAC4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C24H19BrFN3O2/c25-20-5-3-6-21(14-20)31-16-17-8-10-18(11-9-17)24(30)27-23-12-13-29(28-23)15-19-4-1-2-7-22(19)26/h1-14H,15-16H2,(H,27,28,30)
InChIKeySYELQTLNOWPHEV-UHFFFAOYSA-N
MW480.34 g/mol
LogP5.66
Rot. Bonds7

About 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide

4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 997139) has the molecular formula C24H19BrFN3O2 and a molecular weight of 480.34 g/mol. Its IUPAC name is 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID997139
Molecular FormulaC24H19BrFN3O2
Molecular Weight480.34 g/mol
Exact Mass479.06
IUPAC Name4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2cccc(Br)c2)cc1
InChIInChI=1S/C24H19BrFN3O2/c25-20-5-3-6-21(14-20)31-16-17-8-10-18(11-9-17)24(30)27-23-12-13-29(28-23)15-19-4-1-2-7-22(19)26/h1-14H,15-16H2,(H,27,28,30)
InChIKeySYELQTLNOWPHEV-UHFFFAOYSA-N
XLogP5.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.34
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997073
4-[(4-bromophenoxy)methyl]-N-[4-(1H-pyrazol-1-ylmethyl)phenyl]benzamide
CID 997311
4-[(4-bromophenoxy)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 997438
4-[(2-chlorophenoxy)methyl]-N-[1-(2-fluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 999249
4-[(2-chlorophenoxy)methyl]-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]benzamide
CID 1767806
3-[2-(4-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67305810
3-[2-(2,4-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67306982
3-[2-(2-fluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 67307127
3-[(E)-2-(2-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540510
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540511
3-[(E)-2-(2,4-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540610
3-[(E)-2-(2,5-difluorophenyl)ethenyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 71540611

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 997139) is 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccccc2F)n1)c1ccc(COc2cccc(Br)c2)cc1.
What is the InChIKey of 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is SYELQTLNOWPHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrFN3O2/c25-20-5-3-6-21(14-20)31-16-17-8-10-18(11-9-17)24(30)27-23-12-13-29(28-23)15-19-4-1-2-7-22(19)26/h1-14H,15-16H2,(H,27,28,30).
What are the key properties of 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide?
4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 480.34 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 997139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).