2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide

C16H20BrN3O3 — CID 100829396

IUPAC2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br
InChIInChI=1S/C16H20BrN3O3/c1-16(2,15(21)18-9-10-22-3)23-14-13(17)11-20(19-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,21)
InChIKeyFDDJVMCRJNZKRU-UHFFFAOYSA-N
MW382.26 g/mol
LogP2.55
Rot. Bonds7

About 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide

2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 100829396) has the molecular formula C16H20BrN3O3 and a molecular weight of 382.26 g/mol. Its IUPAC name is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID100829396
Molecular FormulaC16H20BrN3O3
Molecular Weight382.26 g/mol
Exact Mass381.07
IUPAC Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br
InChIInChI=1S/C16H20BrN3O3/c1-16(2,15(21)18-9-10-22-3)23-14-13(17)11-20(19-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,21)
InChIKeyFDDJVMCRJNZKRU-UHFFFAOYSA-N
XLogP2.55
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(3-methoxypropyl)-2-methylpropanamide
CID 100829394
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 100830033
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-prop-2-enylpropanamide
CID 100829350
(2R)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)propanamide
CID 100829260
N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide
CID 100829390
2-methyl-2-(4-methyl-1-phenylpyrazol-3-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 100829078
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
3-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 29198559
2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methyl-N-(6-methyl-2-pyridinyl)propanamide
CID 100829399
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide
CID 100829131
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-prop-2-enylpropanamide
CID 110210605

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide (CID 100829396) is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide is COCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Br.
What is the InChIKey of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is FDDJVMCRJNZKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3/c1-16(2,15(21)18-9-10-22-3)23-14-13(17)11-20(19-14)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide?
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 382.26 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 100829396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).