2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide

C11H13BrN4OS — CID 62112892

IUPAC2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H13BrN4OS/c1-15(5-9-4-8(12)7-18-9)11(17)6-16-3-2-10(13)14-16/h2-4,7H,5-6H2,1H3,(H2,13,14)
InChIKeyZNZGDSAULFUSDT-UHFFFAOYSA-N
MW329.22 g/mol
LogP1.95
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide

2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide (PubChem CID 62112892) has the molecular formula C11H13BrN4OS and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
PubChem CID62112892
Molecular FormulaC11H13BrN4OS
Molecular Weight329.22 g/mol
Exact Mass328.00
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cc(Br)cs1)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C11H13BrN4OS/c1-15(5-9-4-8(12)7-18-9)11(17)6-16-3-2-10(13)14-16/h2-4,7H,5-6H2,1H3,(H2,13,14)
InChIKeyZNZGDSAULFUSDT-UHFFFAOYSA-N
XLogP1.95
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 63693887
N-(2-amino-2-oxoethyl)-2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 62101394
2-(3-aminopyrazol-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 62112067
2-(3-aminopyrazol-1-yl)-N-[2-(4-bromophenoxy)ethyl]-N-methylacetamide
CID 62112405
2-(3-aminopyrazol-1-yl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 62101395
2-(3-aminopyrazol-1-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 62113912
2-(3-aminopyrazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylacetamide
CID 62111897
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-(3-aminopyrazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 62111533
2-(3-aminopyrazol-1-yl)-N-(cyclopentylmethyl)-N-methylacetamide
CID 63630834
2-(5-amino-2-pyridinyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide
CID 107338022
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-methylsulfanylpropanamide
CID 55028858

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide (CID 62112892) is 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide is CN(Cc1cc(Br)cs1)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
The InChIKey is ZNZGDSAULFUSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4OS/c1-15(5-9-4-8(12)7-18-9)11(17)6-16-3-2-10(13)14-16/h2-4,7H,5-6H2,1H3,(H2,13,14).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide?
2-(3-aminopyrazol-1-yl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide has a molecular weight of 329.22 g/mol, XLogP of 1.95, 4 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-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 62112892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).