2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide

C8H12ClN3O2 — CID 19525019

IUPAC2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C8H12ClN3O2/c1-14-3-2-10-8(13)6-12-5-7(9)4-11-12/h4-5H,2-3,6H2,1H3,(H,10,13)
InChIKeyGDPFMOUTRBDBMA-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.30
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide

2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide (PubChem CID 19525019) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
PubChem CID19525019
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C8H12ClN3O2/c1-14-3-2-10-8(13)6-12-5-7(9)4-11-12/h4-5H,2-3,6H2,1H3,(H,10,13)
InChIKeyGDPFMOUTRBDBMA-UHFFFAOYSA-N
XLogP0.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide (CID 19525019) is 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide?
The InChIKey is GDPFMOUTRBDBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c1-14-3-2-10-8(13)6-12-5-7(9)4-11-12/h4-5H,2-3,6H2,1H3,(H,10,13).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide?
2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide has a molecular weight of 217.66 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 19525019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).