N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide

C14H16ClN3O3 — CID 71993387

IUPACN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O3/c1-20-8-9-21-10-14(19)17-13-6-7-16-18(13)12-4-2-11(15)3-5-12/h2-7H,8-10H2,1H3,(H,17,19)
InChIKeyOXTSWZFPUSABEQ-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.13
Rot. Bonds7

About N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide

N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide (PubChem CID 71993387) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
PubChem CID71993387
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccnn1-c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN3O3/c1-20-8-9-21-10-14(19)17-13-6-7-16-18(13)12-4-2-11(15)3-5-12/h2-7H,8-10H2,1H3,(H,17,19)
InChIKeyOXTSWZFPUSABEQ-UHFFFAOYSA-N
XLogP2.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide (CID 71993387) is N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1ccnn1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is OXTSWZFPUSABEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-20-8-9-21-10-14(19)17-13-6-7-16-18(13)12-4-2-11(15)3-5-12/h2-7H,8-10H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide?
N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 309.75 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)pyrazol-3-yl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 71993387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).