2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

C16H19ClN2O3 — CID 55562156

IUPAC2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCc1cc(C)n(CCC(=O)OCCOc2cccc(Cl)c2)n1
InChIInChI=1S/C16H19ClN2O3/c1-12-10-13(2)19(18-12)7-6-16(20)22-9-8-21-15-5-3-4-14(17)11-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyYKNRZHMUGYQXST-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.17
Rot. Bonds7

About 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate

2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 55562156) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID55562156
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCc1cc(C)n(CCC(=O)OCCOc2cccc(Cl)c2)n1
InChIInChI=1S/C16H19ClN2O3/c1-12-10-13(2)19(18-12)7-6-16(20)22-9-8-21-15-5-3-4-14(17)11-15/h3-5,10-11H,6-9H2,1-2H3
InChIKeyYKNRZHMUGYQXST-UHFFFAOYSA-N
XLogP3.17
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate 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-(3-methylphenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562154
2-(4-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562039
3-phenoxypropyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55568167
2-(3-bromophenoxy)ethyl 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449633
2-(3-chlorophenoxy)ethyl 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate
CID 31208621
4-[(3-chlorophenoxy)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293748
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methylphenoxy)propanamide
CID 4795855
methyl 3-(3-chlorophenoxy)propanoate
CID 28940074
3-(3-chlorophenoxy)propanamide
CID 23512799
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
(2,5-dimethylphenyl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562950
5-(3-chlorophenoxy)pentan-2-one
CID 62030286

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate (CID 55562156) is 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate is Cc1cc(C)n(CCC(=O)OCCOc2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is YKNRZHMUGYQXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-12-10-13(2)19(18-12)7-6-16(20)22-9-8-21-15-5-3-4-14(17)11-15/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate?
2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 322.79 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)ethyl 3-(3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 55562156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).