2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide

C8H12ClN3O — CID 69192332

IUPAC2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
SMILESCCn1nc(C)cc1NC(=O)CCl
InChIInChI=1S/C8H12ClN3O/c1-3-12-7(4-6(2)11-12)10-8(13)5-9/h4H,3,5H2,1-2H3,(H,10,13)
InChIKeyFYMDXGOUIFUQKZ-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.39
Rot. Bonds3

About 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide

2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide (PubChem CID 69192332) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
PubChem CID69192332
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
SMILESCCn1nc(C)cc1NC(=O)CCl
InChIInChI=1S/C8H12ClN3O/c1-3-12-7(4-6(2)11-12)10-8(13)5-9/h4H,3,5H2,1-2H3,(H,10,13)
InChIKeyFYMDXGOUIFUQKZ-UHFFFAOYSA-N
XLogP1.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(cyclopropylmethyl)-5-methylpyrazol-3-yl]acetamide
CID 166431940
2-(2,4-dimethylphenyl)-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 45284669
N-(2-ethyl-5-methylpyrazol-3-yl)-2-[(3,5,6-trichloro-2-pyridinyl)oxy]acetamide
CID 19890364
methyl 2-[(2-ethyl-5-methylpyrazol-3-yl)amino]acetate
CID 154882023
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453
N-(2-ethyl-5-methylpyrazol-3-yl)-4-ethylsulfanylbenzamide
CID 45284668
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 35766434
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-2-(methylamino)acetamide
CID 110479037
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39742337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide (CID 69192332) is 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide is CCn1nc(C)cc1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
The InChIKey is FYMDXGOUIFUQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-3-12-7(4-6(2)11-12)10-8(13)5-9/h4H,3,5H2,1-2H3,(H,10,13).
What are the key properties of 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide?
2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide has a molecular weight of 201.66 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 69192332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).