N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide

C15H14Cl2N4O2 — CID 2320429

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(CCC#N)n1
InChIInChI=1S/C15H14Cl2N4O2/c1-10-7-14(21(20-10)6-2-5-18)19-15(22)9-23-13-4-3-11(16)8-12(13)17/h3-4,7-8H,2,6,9H2,1H3,(H,19,22)
InChIKeyJLLCYNCQROAMOB-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.43
Rot. Bonds6

About N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 2320429) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID2320429
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(CCC#N)n1
InChIInChI=1S/C15H14Cl2N4O2/c1-10-7-14(21(20-10)6-2-5-18)19-15(22)9-23-13-4-3-11(16)8-12(13)17/h3-4,7-8H,2,6,9H2,1H3,(H,19,22)
InChIKeyJLLCYNCQROAMOB-UHFFFAOYSA-N
XLogP3.43
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide (CID 2320429) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(CCC#N)n1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is JLLCYNCQROAMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-10-7-14(21(20-10)6-2-5-18)19-15(22)9-23-13-4-3-11(16)8-12(13)17/h3-4,7-8H,2,6,9H2,1H3,(H,19,22).
What are the key properties of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 353.21 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 2320429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).