2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide

C14H14Cl2N4O2 — CID 84597031

IUPAC2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N4O2/c1-8-5-13(18-14(22)7-17-9(2)21)19-20(8)12-4-3-10(15)6-11(12)16/h3-6H,7H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKeyFOKGZZYHYYWBMA-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.56
Rot. Bonds4

About 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide

2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 84597031) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID84597031
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCC(=O)NCC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H14Cl2N4O2/c1-8-5-13(18-14(22)7-17-9(2)21)19-20(8)12-4-3-10(15)6-11(12)16/h3-6H,7H2,1-2H3,(H,17,21)(H,18,19,22)
InChIKeyFOKGZZYHYYWBMA-UHFFFAOYSA-N
XLogP2.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 84597031) is 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide is CC(=O)NCC(=O)Nc1cc(C)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is FOKGZZYHYYWBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c1-8-5-13(18-14(22)7-17-9(2)21)19-20(8)12-4-3-10(15)6-11(12)16/h3-6H,7H2,1-2H3,(H,17,21)(H,18,19,22).
What are the key properties of 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide?
2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 341.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 84597031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).