2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide

C15H18BrN3O2 — CID 100829131

IUPAC2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1nn(-c2ccccc2)cc1Br
InChIInChI=1S/C15H18BrN3O2/c1-3-18(4-2)14(20)11-21-15-13(16)10-19(17-15)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKeyBCEYHULDIRYDIP-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.88
Rot. Bonds6

About 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide

2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide (PubChem CID 100829131) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide
PubChem CID100829131
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1nn(-c2ccccc2)cc1Br
InChIInChI=1S/C15H18BrN3O2/c1-3-18(4-2)14(20)11-21-15-13(16)10-19(17-15)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKeyBCEYHULDIRYDIP-UHFFFAOYSA-N
XLogP2.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 171132838
3-[[2-(4-bromo-1-phenylpyrazol-3-yl)oxyacetyl]amino]-N-cyclopropylpropanamide
CID 100829150
[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 55425881
(2S)-2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methylpropyl)propanamide
CID 100830030
methyl 2-(1,4-diphenylpyrazol-3-yl)oxyacetate
CID 154148416
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
(2R)-N-benzyl-2-(4-bromo-1-phenylpyrazol-3-yl)oxypropanamide
CID 100829357
ethyl 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 100830033
N,N-diethyl-1-phenyltriazole-4-carboxamide
CID 15048681
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 100829396

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide?
The IUPAC name of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide (CID 100829131) is 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide?
The canonical SMILES for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide is CCN(CC)C(=O)COc1nn(-c2ccccc2)cc1Br.
What is the InChIKey of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide?
The InChIKey is BCEYHULDIRYDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-3-18(4-2)14(20)11-21-15-13(16)10-19(17-15)12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide?
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide has a molecular weight of 352.23 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N,N-diethylacetamide is sourced from PubChem (CID 100829131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).