2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide

C15H18ClN3O2 — CID 19454239

IUPAC2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
SMILESCCn1nccc1CN(C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-19-13(8-9-17-19)10-18(2)15(20)11-21-14-6-4-12(16)5-7-14/h4-9H,3,10-11H2,1-2H3
InChIKeyZLVQLTXZJGMNEN-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.59
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide

2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide (PubChem CID 19454239) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
PubChem CID19454239
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
SMILESCCn1nccc1CN(C)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-19-13(8-9-17-19)10-18(2)15(20)11-21-14-6-4-12(16)5-7-14/h4-9H,3,10-11H2,1-2H3
InChIKeyZLVQLTXZJGMNEN-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454276
4-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19443806
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531219
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-2-phenylacetamide
CID 19454252
2-(4-chlorophenoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714502
5-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454392
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
3-(4-chloro-3-methylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19558392
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzenesulfonamide
CID 19582197
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860
2-(4-chloropyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N,2-dimethylpropanamide
CID 19454404
N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-4-phenylbutanamide
CID 35520918

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide (CID 19454239) is 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide is CCn1nccc1CN(C)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
The InChIKey is ZLVQLTXZJGMNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-19-13(8-9-17-19)10-18(2)15(20)11-21-14-6-4-12(16)5-7-14/h4-9H,3,10-11H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide?
2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide has a molecular weight of 307.78 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 19454239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).