2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide

C7H10ClN3O — CID 2778354

IUPAC2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CCl)n(C)n1
InChIInChI=1S/C7H10ClN3O/c1-5-3-6(11(2)10-5)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,12)
InChIKeyXIKWBUIHJKCCDR-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.91
Rot. Bonds2

About 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 2778354) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID2778354
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CCl)n(C)n1
InChIInChI=1S/C7H10ClN3O/c1-5-3-6(11(2)10-5)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,12)
InChIKeyXIKWBUIHJKCCDR-UHFFFAOYSA-N
XLogP0.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2,5-dimethylpyrazol-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

N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
2-Chloro-N-(1,5-dimethyl-1H-pyrazol-3-yl)-acetamide
CID 6485361
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135600432
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-(1-(tert-Butyl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 6621900
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556
N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 45791474
N-(2,5-Dimethyl-2H-pyrazol-3-yl)-2,2-dimethyl-propionamide
CID 2818790
N-(4-iodo-1,3-dimethyl-1H-pyrazol-5-yl)acetamide
CID 12563619
2-(diethylamino)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36802067
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 59492320
N-(1,5-dimethylpyrazol-3-yl)-2,2,2-trifluoroacetamide
CID 130163754

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 2778354) is 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CCl)n(C)n1.
What is the InChIKey of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is XIKWBUIHJKCCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-5-3-6(11(2)10-5)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,12).
What are the key properties of 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 187.63 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 2778354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).