2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide

C10H14ClN3O — CID 166410231

IUPAC2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CCl)c(C2CCC2)n1
InChIInChI=1S/C10H14ClN3O/c1-14-6-8(12-9(15)5-11)10(13-14)7-3-2-4-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyUGXAZRXFPRYSLM-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.86
Rot. Bonds3

About 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide

2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide (PubChem CID 166410231) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
PubChem CID166410231
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)CCl)c(C2CCC2)n1
InChIInChI=1S/C10H14ClN3O/c1-14-6-8(12-9(15)5-11)10(13-14)7-3-2-4-7/h6-7H,2-5H2,1H3,(H,12,15)
InChIKeyUGXAZRXFPRYSLM-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide (CID 166410231) is 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)CCl)c(C2CCC2)n1.
What is the InChIKey of 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide?
The InChIKey is UGXAZRXFPRYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-14-6-8(12-9(15)5-11)10(13-14)7-3-2-4-7/h6-7H,2-5H2,1H3,(H,12,15).
What are the key properties of 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide?
2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide has a molecular weight of 227.69 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyclobutyl-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 166410231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).