N-(2-butylpyrazol-3-yl)-2-chloroacetamide

C9H14ClN3O — CID 50987917

IUPACN-(2-butylpyrazol-3-yl)-2-chloroacetamide
SMILESCCCCn1nccc1NC(=O)CCl
InChIInChI=1S/C9H14ClN3O/c1-2-3-6-13-8(4-5-11-13)12-9(14)7-10/h4-5H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyYABYFUUAITUBQF-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.86
Rot. Bonds5

About N-(2-butylpyrazol-3-yl)-2-chloroacetamide

N-(2-butylpyrazol-3-yl)-2-chloroacetamide (PubChem CID 50987917) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2-chloroacetamide
PubChem CID50987917
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC NameN-(2-butylpyrazol-3-yl)-2-chloroacetamide
SMILESCCCCn1nccc1NC(=O)CCl
InChIInChI=1S/C9H14ClN3O/c1-2-3-6-13-8(4-5-11-13)12-9(14)7-10/h4-5H,2-3,6-7H2,1H3,(H,12,14)
InChIKeyYABYFUUAITUBQF-UHFFFAOYSA-N
XLogP1.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.86
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

1-butyl-3-(2-butylpyrazol-3-yl)urea
CID 47420496
N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 47182837
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CID 60557715
N-(2-butylpyrazol-3-yl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 86983067
N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
CID 78864779
N-(2-butylpyrazol-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 154833804
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-butylpyrazol-3-yl)acetamide
CID 55968028
N-(2-ethylpyrazol-3-yl)propanamide
CID 59069155
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]hexanamide
CID 38996990
2-(2-methoxyethylamino)-N-(2-propylpyrazol-3-yl)acetamide;hydrochloride
CID 119719149

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-2-chloroacetamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2-chloroacetamide (CID 50987917) is N-(2-butylpyrazol-3-yl)-2-chloroacetamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2-chloroacetamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2-chloroacetamide is CCCCn1nccc1NC(=O)CCl.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2-chloroacetamide?
The InChIKey is YABYFUUAITUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-3-6-13-8(4-5-11-13)12-9(14)7-10/h4-5H,2-3,6-7H2,1H3,(H,12,14).
What are the key properties of N-(2-butylpyrazol-3-yl)-2-chloroacetamide?
N-(2-butylpyrazol-3-yl)-2-chloroacetamide has a molecular weight of 215.68 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2-chloroacetamide is sourced from PubChem (CID 50987917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).