2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide

C9H14ClN3O — CID 19619348

IUPAC2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCn1cc(CN(C)C(=O)CCl)cn1
InChIInChI=1S/C9H14ClN3O/c1-3-13-7-8(5-11-13)6-12(2)9(14)4-10/h5,7H,3-4,6H2,1-2H3
InChIKeyBGHDNLQQEBZZSK-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.10
Rot. Bonds4

About 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide

2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 19619348) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID19619348
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCCn1cc(CN(C)C(=O)CCl)cn1
InChIInChI=1S/C9H14ClN3O/c1-3-13-7-8(5-11-13)6-12(2)9(14)4-10/h5,7H,3-4,6H2,1-2H3
InChIKeyBGHDNLQQEBZZSK-UHFFFAOYSA-N
XLogP1.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.10
H-Bond Donors ≤ 50
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-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 166408899
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide
CID 154880338
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70788742
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
3-bromo-5-[(1-ethylpyrazol-4-yl)methyl-methylcarbamoyl]benzoic acid
CID 136544031
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
CID 166416305
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide
CID 4770398
1,4-diethylpyrazole;ethane
CID 143641951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide (CID 19619348) is 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide is CCn1cc(CN(C)C(=O)CCl)cn1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is BGHDNLQQEBZZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-3-13-7-8(5-11-13)6-12(2)9(14)4-10/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide?
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 215.68 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 19619348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).