2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide

C9H14ClN3O — CID 166416305

IUPAC2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1cc(CCNC(=O)CCl)cn1
InChIInChI=1S/C9H14ClN3O/c1-2-13-7-8(6-12-13)3-4-11-9(14)5-10/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyKOQFHDJOHSBOHO-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.80
Rot. Bonds5

About 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide

2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide (PubChem CID 166416305) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
PubChem CID166416305
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1cc(CCNC(=O)CCl)cn1
InChIInChI=1S/C9H14ClN3O/c1-2-13-7-8(6-12-13)3-4-11-9(14)5-10/h6-7H,2-5H2,1H3,(H,11,14)
InChIKeyKOQFHDJOHSBOHO-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
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

3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645
1-ethyl-N-[2-(1-ethylpyrazol-4-yl)ethyl]-3-methylpyrazole-4-carboxamide
CID 20836792
2-[(1-ethylpyrazol-4-yl)methylamino]-N-propylacetamide
CID 62125646
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 19619348
6-(1-ethylpyrazol-4-yl)hexan-3-one
CID 64521135
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229
(1-ethylpyrazol-4-yl)methylurea
CID 131065199
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide (CID 166416305) is 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide is CCn1cc(CCNC(=O)CCl)cn1.
What is the InChIKey of 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is KOQFHDJOHSBOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-2-13-7-8(6-12-13)3-4-11-9(14)5-10/h6-7H,2-5H2,1H3,(H,11,14).
What are the key properties of 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide?
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 215.68 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 166416305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).