2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide

C18H16BrN3O2 — CID 55547798

IUPAC2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H16BrN3O2/c1-13(24-16-9-7-14(19)8-10-16)18(23)20-17-11-12-22(21-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,23)
InChIKeyXRBGHXWPSNLYCC-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.04
Rot. Bonds5

About 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide

2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide (PubChem CID 55547798) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
PubChem CID55547798
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H16BrN3O2/c1-13(24-16-9-7-14(19)8-10-16)18(23)20-17-11-12-22(21-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,23)
InChIKeyXRBGHXWPSNLYCC-UHFFFAOYSA-N
XLogP4.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55548071
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)propanamide
CID 110210628
2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 2970557
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100828981
(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977
N-(4-anilinophenyl)-2-(4-bromophenoxy)propanamide
CID 2953787
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459
N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 60607724
(2S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-2-phenoxypropanamide
CID 95685516

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide (CID 55547798) is 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide?
The InChIKey is XRBGHXWPSNLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-13(24-16-9-7-14(19)8-10-16)18(23)20-17-11-12-22(21-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,20,21,23).
What are the key properties of 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide?
2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide has a molecular weight of 386.25 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide is sourced from PubChem (CID 55547798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).