4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide

C13H16N4O2 — CID 81342274

IUPAC4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2cc(C)nn2C)c1
InChIInChI=1S/C13H16N4O2/c1-8-6-12(17(3)16-8)19-11-7-9(13(18)15-2)4-5-10(11)14/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyWZLPBQMXQJTGPW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.46
Rot. Bonds3

About 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide

4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide (PubChem CID 81342274) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
PubChem CID81342274
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2cc(C)nn2C)c1
InChIInChI=1S/C13H16N4O2/c1-8-6-12(17(3)16-8)19-11-7-9(13(18)15-2)4-5-10(11)14/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyWZLPBQMXQJTGPW-UHFFFAOYSA-N
XLogP1.46
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide 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

3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346768
ethyl 3-amino-4-(2,5-dimethylpyrazol-3-yl)oxybenzoate
CID 81346379
4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
CID 107722490
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
CID 64855361
4-amino-3-(2-chloro-4-methylphenoxy)-N-methylbenzamide
CID 63357199
2-amino-5-(2,5-dimethylpyrazol-3-yl)oxybenzoic acid
CID 81346605
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
1-[2-amino-5-(2,5-dimethylpyrazol-3-yl)oxyphenyl]ethanone
CID 104613349

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide?
The IUPAC name of 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide (CID 81342274) is 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide is CNC(=O)c1ccc(N)c(Oc2cc(C)nn2C)c1.
What is the InChIKey of 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide?
The InChIKey is WZLPBQMXQJTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-6-12(17(3)16-8)19-11-7-9(13(18)15-2)4-5-10(11)14/h4-7H,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide?
4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide has a molecular weight of 260.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide is sourced from PubChem (CID 81342274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).