2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide

C13H14ClN3O — CID 61348902

IUPAC2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCn1cc(CNC(=O)C(Cl)c2ccccc2)cn1
InChIInChI=1S/C13H14ClN3O/c1-17-9-10(8-16-17)7-15-13(18)12(14)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,15,18)
InChIKeyUAPICTTXBWSPGK-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.02
Rot. Bonds4

About 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide

2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide (PubChem CID 61348902) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
PubChem CID61348902
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
SMILESCn1cc(CNC(=O)C(Cl)c2ccccc2)cn1
InChIInChI=1S/C13H14ClN3O/c1-17-9-10(8-16-17)7-15-13(18)12(14)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,15,18)
InChIKeyUAPICTTXBWSPGK-UHFFFAOYSA-N
XLogP2.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide (CID 61348902) is 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide is Cn1cc(CNC(=O)C(Cl)c2ccccc2)cn1.
What is the InChIKey of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide?
The InChIKey is UAPICTTXBWSPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17-9-10(8-16-17)7-15-13(18)12(14)11-5-3-2-4-6-11/h2-6,8-9,12H,7H2,1H3,(H,15,18).
What are the key properties of 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide?
2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide has a molecular weight of 263.73 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 61348902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).