2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide

C14H17BrN4O2 — CID 62112405

IUPAC2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C14H17BrN4O2/c1-18(14(20)10-19-7-6-13(16)17-19)8-9-21-12-4-2-11(15)3-5-12/h2-7H,8-10H2,1H3,(H2,16,17)
InChIKeyKPPKQXHIQWNDDH-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.77
Rot. Bonds6

About 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide

2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide (PubChem CID 62112405) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
PubChem CID62112405
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C14H17BrN4O2/c1-18(14(20)10-19-7-6-13(16)17-19)8-9-21-12-4-2-11(15)3-5-12/h2-7H,8-10H2,1H3,(H2,16,17)
InChIKeyKPPKQXHIQWNDDH-UHFFFAOYSA-N
XLogP1.77
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 62113912
2-(3-aminopyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693887
N-[2-(4-bromophenoxy)ethyl]-2-(4-hydroxypiperidin-1-yl)-N-methylacetamide
CID 29235706
N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 62101394
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 62112892
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62799436
2-(3-aminopyrazol-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 62101395
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
2-(3-aminopyrazol-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 62112067
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-[4-(tetrazol-1-yl)phenoxy]acetamide
CID 46612021
N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
CID 56827978

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide (CID 62112405) is 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide is CN(CCOc1ccc(Br)cc1)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide?
The InChIKey is KPPKQXHIQWNDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-18(14(20)10-19-7-6-13(16)17-19)8-9-21-12-4-2-11(15)3-5-12/h2-7H,8-10H2,1H3,(H2,16,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide?
2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide has a molecular weight of 353.22 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 62112405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).