3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide

C21H20BrFN4O2 — CID 172890565

IUPAC3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCOCC3)c(Br)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20BrFN4O2/c1-14-12-20(27(25-14)17-5-3-16(23)4-6-17)24-21(28)15-2-7-19(18(22)13-15)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,24,28)
InChIKeyYDHWMWXTSOSNEW-UHFFFAOYSA-N
MW459.32 g/mol
LogP4.17
Rot. Bonds4

About 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide

3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide (PubChem CID 172890565) has the molecular formula C21H20BrFN4O2 and a molecular weight of 459.32 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide
PubChem CID172890565
Molecular FormulaC21H20BrFN4O2
Molecular Weight459.32 g/mol
Exact Mass458.08
IUPAC Name3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide
SMILESCc1cc(NC(=O)c2ccc(N3CCOCC3)c(Br)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20BrFN4O2/c1-14-12-20(27(25-14)17-5-3-16(23)4-6-17)24-21(28)15-2-7-19(18(22)13-15)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,24,28)
InChIKeyYDHWMWXTSOSNEW-UHFFFAOYSA-N
XLogP4.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.32
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(2-bromophenyl)-3-phenyl)-1H-pyrazol-3-yl)benzamide
CID 11683159
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(3-fluoro-4-methylphenyl)propanamide
CID 16027044
N-(4-Acetylphenyl)-3-{3,5-dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16027052
N-[4-[(4-bromoanilino)-morpholin-4-ylphosphoryl]-1-(2-cyanoethyl)-3-methylpyrazol-5-yl]benzamide
CID 2319682
3-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-4-morpholin-4-ylbenzamide
CID 53597254
US12409171, Name RG-0013061
CID 155424566
2-[1-(3-Bromophenyl)-N-pentylformamido]-N-[1-(4-fluorophenyl)-3-phenyl-1H-pyrazol-5-YL]acetamide
CID 3425180
N-(1,3-Diphenyl-1H-pyrazol-5-YL)-2-[1-(2-fluorophenyl)-N-(2-methoxyethyl)formamido]acetamide
CID 4302543
[4-[5-Amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 44763163
4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[(3-fluorophenyl)methyl]benzamide
CID 44764392
4-(5-acetamido-3-phenylpyrazol-1-yl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 44764394
2-Fluoro-N-{[1-(3-fluorophenyl)-3-methyl-5-(4-methylpiperazin-1-YL)-1H-pyrazol-4-YL]methyl}-N-(2-methoxyethyl)benzamide
CID 46078929

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide (CID 172890565) is 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide is Cc1cc(NC(=O)c2ccc(N3CCOCC3)c(Br)c2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is YDHWMWXTSOSNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrFN4O2/c1-14-12-20(27(25-14)17-5-3-16(23)4-6-17)24-21(28)15-2-7-19(18(22)13-15)26-8-10-29-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,24,28).
What are the key properties of 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide?
3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 459.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 172890565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).