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

C12H11Cl2N3O2 — CID 84597844

IUPACN-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide
SMILESCc1cc(NC(=O)CO)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O2/c1-7-4-11(15-12(19)6-18)16-17(7)10-3-2-8(13)5-9(10)14/h2-5,18H,6H2,1H3,(H,15,16,19)
InChIKeyHMNACAXFKBQFBO-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.42
Rot. Bonds3

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

N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide (PubChem CID 84597844) has the molecular formula C12H11Cl2N3O2 and a molecular weight of 300.15 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide
PubChem CID84597844
Molecular FormulaC12H11Cl2N3O2
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC NameN-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide
SMILESCc1cc(NC(=O)CO)nn1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl2N3O2/c1-7-4-11(15-12(19)6-18)16-17(7)10-3-2-8(13)5-9(10)14/h2-5,18H,6H2,1H3,(H,15,16,19)
InChIKeyHMNACAXFKBQFBO-UHFFFAOYSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide (CID 84597844) is N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide is Cc1cc(NC(=O)CO)nn1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide?
The InChIKey is HMNACAXFKBQFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2/c1-7-4-11(15-12(19)6-18)16-17(7)10-3-2-8(13)5-9(10)14/h2-5,18H,6H2,1H3,(H,15,16,19).
What are the key properties of N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide?
N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide has a molecular weight of 300.15 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-hydroxyacetamide is sourced from PubChem (CID 84597844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).