2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide

C10H16ClN3O — CID 112671060

IUPAC2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCNC(=O)C(Cl)c1cn(C)nc1CC
InChIInChI=1S/C10H16ClN3O/c1-4-8-7(6-14(3)13-8)9(11)10(15)12-5-2/h6,9H,4-5H2,1-3H3,(H,12,15)
InChIKeyYKRXDAKSBLFCBY-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.40
Rot. Bonds4

About 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide

2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide (PubChem CID 112671060) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
PubChem CID112671060
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide
SMILESCCNC(=O)C(Cl)c1cn(C)nc1CC
InChIInChI=1S/C10H16ClN3O/c1-4-8-7(6-14(3)13-8)9(11)10(15)12-5-2/h6,9H,4-5H2,1-3H3,(H,12,15)
InChIKeyYKRXDAKSBLFCBY-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.40
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-chloro-N-ethyl-2-(1-methylimidazol-4-yl)acetamide
CID 130598772
2-chloro-2-(1,5-dimethylpyrazol-4-yl)-N-ethylacetamide
CID 79584700
N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810778
(3S)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 96758684
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
methyl 2-(3-ethyl-1-methylpyrazol-4-yl)-2-(propan-2-ylamino)acetate
CID 112669747
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-2-methylpropanoate
CID 112671090
(3S)-3-acetamido-3-(3-ethyl-1-methylpyrazol-4-yl)propanoic acid
CID 103955785
2-amino-1-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 130166119
2-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]-N-ethylpropanamide
CID 65192271
methyl 3-(3-ethyl-1-methylpyrazol-4-yl)-3-(methylamino)propanoate
CID 112671468
2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide
CID 66134051

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide (CID 112671060) is 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide is CCNC(=O)C(Cl)c1cn(C)nc1CC.
What is the InChIKey of 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
The InChIKey is YKRXDAKSBLFCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-4-8-7(6-14(3)13-8)9(11)10(15)12-5-2/h6,9H,4-5H2,1-3H3,(H,12,15).
What are the key properties of 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide?
2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide has a molecular weight of 229.71 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 112671060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).