N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide

C16H19Cl2N3O3 — CID 39853747

IUPACN-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C16H19Cl2N3O3/c1-10-16(19-15(22)6-7-23-3)11(2)21(20-10)9-24-14-5-4-12(17)8-13(14)18/h4-5,8H,6-7,9H2,1-3H3,(H,19,22)
InChIKeyHHQDTFGWVABYPG-UHFFFAOYSA-N
MW372.25 g/mol
LogP3.82
Rot. Bonds7

About N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide

N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide (PubChem CID 39853747) has the molecular formula C16H19Cl2N3O3 and a molecular weight of 372.25 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide
PubChem CID39853747
Molecular FormulaC16H19Cl2N3O3
Molecular Weight372.25 g/mol
Exact Mass371.08
IUPAC NameN-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide
SMILESCOCCC(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C16H19Cl2N3O3/c1-10-16(19-15(22)6-7-23-3)11(2)21(20-10)9-24-14-5-4-12(17)8-13(14)18/h4-5,8H,6-7,9H2,1-3H3,(H,19,22)
InChIKeyHHQDTFGWVABYPG-UHFFFAOYSA-N
XLogP3.82
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide 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

5-[[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]amino]-5-oxopentanoic acid
CID 39853956
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-2-carboxamide
CID 39853363
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-3-carboxamide
CID 39853354
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]naphthalene-2-carboxamide
CID 39854201
1-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3-methylphenyl)urea
CID 39854204
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-1-ethylpyrazole-4-carboxamide
CID 35525710
2-[3-[[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504399
6-[[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 56725302
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493579
3-chloro-N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 35525665
N-[1-[(2,4-difluorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 35525484
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide?
The IUPAC name of N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide (CID 39853747) is N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide is COCCC(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide?
The InChIKey is HHQDTFGWVABYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3/c1-10-16(19-15(22)6-7-23-3)11(2)21(20-10)9-24-14-5-4-12(17)8-13(14)18/h4-5,8H,6-7,9H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide?
N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide has a molecular weight of 372.25 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenoxy)methyl]-3,5-dimethylpyrazol-4-yl]-3-methoxypropanamide is sourced from PubChem (CID 39853747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).