2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

C11H16ClN3O2 — CID 54909730

IUPAC2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cc(Cl)cn1)C(C)C
InChIInChI=1S/C11H16ClN3O2/c1-7(2)11(8(3)16)14-10(17)6-15-5-9(12)4-13-15/h4-5,7,11H,6H2,1-3H3,(H,14,17)
InChIKeyGBQDJGOLOMLWKL-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.27
Rot. Bonds5

About 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide

2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (PubChem CID 54909730) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
PubChem CID54909730
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1cc(Cl)cn1)C(C)C
InChIInChI=1S/C11H16ClN3O2/c1-7(2)11(8(3)16)14-10(17)6-15-5-9(12)4-13-15/h4-5,7,11H,6H2,1-3H3,(H,14,17)
InChIKeyGBQDJGOLOMLWKL-UHFFFAOYSA-N
XLogP1.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-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

(2R)-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 119369224
N-(4-acetamidophenyl)-2-(4-chloropyrazol-1-yl)acetamide
CID 19524818
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
2-(4-chloropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19584605
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 66194493
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-carbamoyl-2-(4-chloropyrazol-1-yl)acetamide
CID 130693998
2-[4-(3-aminopropyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 106220994
1-(4-chloropyrazol-1-yl)butan-2-one
CID 62040600
N-(2-methyl-4-oxopentan-3-yl)-2-(1-methylpyrazol-4-yl)sulfanylacetamide
CID 61385169
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 62018645

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide (CID 54909730) is 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide is CC(=O)C(NC(=O)Cn1cc(Cl)cn1)C(C)C.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
The InChIKey is GBQDJGOLOMLWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7(2)11(8(3)16)14-10(17)6-15-5-9(12)4-13-15/h4-5,7,11H,6H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide?
2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide has a molecular weight of 257.72 g/mol, XLogP of 1.27, 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-methyl-4-oxopentan-3-yl)acetamide is sourced from PubChem (CID 54909730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).