N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide

C23H24BrFN4O3 — CID 66928354

IUPACN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
SMILESCn1ncc(Br)c1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H24BrFN4O3/c1-28-22(20(24)15-26-28)19-14-18(27-23(30)16-2-4-17(25)5-3-16)6-7-21(19)32-13-10-29-8-11-31-12-9-29/h2-7,14-15H,8-13H2,1H3,(H,27,30)
InChIKeyYOTRZGVRGVIZIC-UHFFFAOYSA-N
MW503.37 g/mol
LogP3.95
Rot. Bonds7

About N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide

N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide (PubChem CID 66928354) has the molecular formula C23H24BrFN4O3 and a molecular weight of 503.37 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
PubChem CID66928354
Molecular FormulaC23H24BrFN4O3
Molecular Weight503.37 g/mol
Exact Mass502.10
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide
SMILESCn1ncc(Br)c1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H24BrFN4O3/c1-28-22(20(24)15-26-28)19-14-18(27-23(30)16-2-4-17(25)5-3-16)6-7-21(19)32-13-10-29-8-11-31-12-9-29/h2-7,14-15H,8-13H2,1H3,(H,27,30)
InChIKeyYOTRZGVRGVIZIC-UHFFFAOYSA-N
XLogP3.95
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethoxy]phenyl]-4-chlorobenzamide
CID 66928715
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 66928588
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-methylbut-2-enamide
CID 58964306
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-2-ylethoxy)phenyl]-4-(trifluoromethyl)benzamide
CID 69370189
2,4-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]benzamide
CID 46833073
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-3-(2,6-difluorophenyl)urea
CID 66928601
1-[4-[2-(azepan-1-yl)ethoxy]-3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-(4-chlorophenyl)urea
CID 66928386
2-methylpropyl N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]carbamate
CID 66927760
3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(1,4-oxazepan-4-yl)ethoxy]aniline
CID 58964260
1-[4-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-(4-bromo-1-methylpyrazol-5-yl)phenyl]-3-[(3-fluorophenyl)methyl]urea
CID 66928116
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-[2-(5-methoxypiperidin-2-yl)ethoxy]phenyl]-3-fluorobenzamide
CID 58964254

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide (CID 66928354) is N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide is Cn1ncc(Br)c1-c1cc(NC(=O)c2ccc(F)cc2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide?
The InChIKey is YOTRZGVRGVIZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrFN4O3/c1-28-22(20(24)15-26-28)19-14-18(27-23(30)16-2-4-17(25)5-3-16)6-7-21(19)32-13-10-29-8-11-31-12-9-29/h2-7,14-15H,8-13H2,1H3,(H,27,30).
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide?
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide has a molecular weight of 503.37 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 66928354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).