2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide

C9H12ClN3O — CID 166407634

IUPAC2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
SMILESO=C(CCl)Nc1ccnn1C1CCC1
InChIInChI=1S/C9H12ClN3O/c10-6-9(14)12-8-4-5-11-13(8)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,14)
InChIKeyUIUYDEUJNRMGFK-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.79
Rot. Bonds3

About 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide

2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide (PubChem CID 166407634) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
PubChem CID166407634
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
SMILESO=C(CCl)Nc1ccnn1C1CCC1
InChIInChI=1S/C9H12ClN3O/c10-6-9(14)12-8-4-5-11-13(8)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,14)
InChIKeyUIUYDEUJNRMGFK-UHFFFAOYSA-N
XLogP1.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 78772114
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 99180754
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46613977
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8819868
N-(2-cyclopentylpyrazol-3-yl)-2-(N-methylanilino)acetamide
CID 51224525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide (CID 166407634) is 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide is O=C(CCl)Nc1ccnn1C1CCC1.
What is the InChIKey of 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide?
The InChIKey is UIUYDEUJNRMGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-6-9(14)12-8-4-5-11-13(8)7-2-1-3-7/h4-5,7H,1-3,6H2,(H,12,14).
What are the key properties of 2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide?
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide has a molecular weight of 213.67 g/mol, XLogP of 1.79, 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-cyclobutylpyrazol-3-yl)acetamide is sourced from PubChem (CID 166407634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).