2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide

C12H13BrN4O2 — CID 82857864

IUPAC2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide
SMILESCOc1cc(Br)cc(NC(=O)Cn2cc(N)cn2)c1
InChIInChI=1S/C12H13BrN4O2/c1-19-11-3-8(13)2-10(4-11)16-12(18)7-17-6-9(14)5-15-17/h2-6H,7,14H2,1H3,(H,16,18)
InChIKeyGQKZXEBKYCGHRD-UHFFFAOYSA-N
MW325.17 g/mol
LogP1.88
Rot. Bonds4

About 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide

2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide (PubChem CID 82857864) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide
PubChem CID82857864
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide
SMILESCOc1cc(Br)cc(NC(=O)Cn2cc(N)cn2)c1
InChIInChI=1S/C12H13BrN4O2/c1-19-11-3-8(13)2-10(4-11)16-12(18)7-17-6-9(14)5-15-17/h2-6H,7,14H2,1H3,(H,16,18)
InChIKeyGQKZXEBKYCGHRD-UHFFFAOYSA-N
XLogP1.88
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide 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-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
2-(4-aminopyrazol-1-yl)-N-(4-bromo-3-iodophenyl)acetamide
CID 114258348
3-amino-N-(3-bromo-5-methoxyphenyl)-4,4-dimethylpentanamide
CID 82868226
2-(4-aminopyrazol-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 43445275
5-amino-N-(3-bromo-5-methoxyphenyl)pyridine-2-carboxamide
CID 82858178
2-(4-aminopyrazol-1-yl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107363404
N-(3-bromo-5-methoxyphenyl)-2-(prop-2-ynylamino)acetamide
CID 82868476
2-(4-aminopyrazol-1-yl)-N-naphthalen-2-ylacetamide
CID 61118519
2-(4-aminopyrazol-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 43445342
ethyl N-(3-bromo-5-methoxyphenyl)carbamate
CID 82859669
2-(1-aminocyclohexyl)-N-(3-bromo-5-methoxyphenyl)acetamide
CID 82867398
2-(4-aminopyrazol-1-yl)-N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide
CID 60790791

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide (CID 82857864) is 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide is COc1cc(Br)cc(NC(=O)Cn2cc(N)cn2)c1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide?
The InChIKey is GQKZXEBKYCGHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c1-19-11-3-8(13)2-10(4-11)16-12(18)7-17-6-9(14)5-15-17/h2-6H,7,14H2,1H3,(H,16,18).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide has a molecular weight of 325.17 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(3-bromo-5-methoxyphenyl)acetamide is sourced from PubChem (CID 82857864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).