4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide

C14H15ClN4O3 — CID 19408899

IUPAC4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O3/c1-16-14(21)13-11(7-19(2)18-13)17-12(20)8-22-10-5-3-9(15)4-6-10/h3-7H,8H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyVCDNJFYOEUPKPL-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.45
Rot. Bonds5

About 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide

4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19408899) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19408899
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN4O3/c1-16-14(21)13-11(7-19(2)18-13)17-12(20)8-22-10-5-3-9(15)4-6-10/h3-7H,8H2,1-2H3,(H,16,21)(H,17,20)
InChIKeyVCDNJFYOEUPKPL-UHFFFAOYSA-N
XLogP1.45
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide 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

4-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19410621
N-(2-acetamidophenyl)-2-(4-chlorophenoxy)acetamide
CID 113093665
2-[4-(aminomethyl)phenoxy]-N-(3-ethyl-1-methylpyrazol-4-yl)acetamide
CID 107461981
2-[[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]amino]-N,6-dimethylbenzamide
CID 86881521
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 1293205
N,1-dimethyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19408995
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
2-[[2-(4-chlorophenoxy)acetyl]amino]-N,4,5-trimethylthiophene-3-carboxamide
CID 7520955
N-(2-aminophenyl)-2-(4-chlorophenoxy)acetamide
CID 16786707
4-chloro-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]benzamide
CID 112774949
2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19329147

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19408899) is 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is VCDNJFYOEUPKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c1-16-14(21)13-11(7-19(2)18-13)17-12(20)8-22-10-5-3-9(15)4-6-10/h3-7H,8H2,1-2H3,(H,16,21)(H,17,20).
What are the key properties of 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 322.75 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenoxy)acetyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19408899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).