3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C15H18ClN3O2 — CID 51080837

IUPAC3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-18(10-12-9-17-19(2)11-12)15(20)7-8-21-14-5-3-13(16)4-6-14/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyPBYGZQAIBCGFQQ-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.50
Rot. Bonds6

About 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 51080837) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID51080837
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-18(10-12-9-17-19(2)11-12)15(20)7-8-21-14-5-3-13(16)4-6-14/h3-6,9,11H,7-8,10H2,1-2H3
InChIKeyPBYGZQAIBCGFQQ-UHFFFAOYSA-N
XLogP2.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 51080837) is 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CN(Cc1cnn(C)c1)C(=O)CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is PBYGZQAIBCGFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-18(10-12-9-17-19(2)11-12)15(20)7-8-21-14-5-3-13(16)4-6-14/h3-6,9,11H,7-8,10H2,1-2H3.
What are the key properties of 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 307.78 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 51080837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).