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

C11H18ClN3O — CID 166408899

IUPAC2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
SMILESCCn1cc(CN(C(=O)CCl)C(C)C)cn1
InChIInChI=1S/C11H18ClN3O/c1-4-14-7-10(6-13-14)8-15(9(2)3)11(16)5-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyYUCPROJQUKHFLV-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.88
Rot. Bonds5

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

2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide (PubChem CID 166408899) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
PubChem CID166408899
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide
SMILESCCn1cc(CN(C(=O)CCl)C(C)C)cn1
InChIInChI=1S/C11H18ClN3O/c1-4-14-7-10(6-13-14)8-15(9(2)3)11(16)5-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyYUCPROJQUKHFLV-UHFFFAOYSA-N
XLogP1.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.88
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-methylacetamide
CID 19619348
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-(4-methylcyclohexyl)acetamide
CID 154880338
N-[(1-ethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)-2-methylsulfanylacetamide
CID 91762094
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
CID 166416305
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
2-[(1-ethylpyrazol-4-yl)methyl-pentan-3-ylamino]ethanol
CID 62128242
1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylpyrazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62128238
3-[(1-ethylpyrazol-4-yl)methylsulfonyl]butanoic acid
CID 66113019
1-(1-ethylpyrazol-4-yl)butan-2-one
CID 62126420
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 50960275

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide (CID 166408899) is 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide is CCn1cc(CN(C(=O)CCl)C(C)C)cn1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
The InChIKey is YUCPROJQUKHFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-14-7-10(6-13-14)8-15(9(2)3)11(16)5-12/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide?
2-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-propan-2-ylacetamide has a molecular weight of 243.74 g/mol, XLogP of 1.88, 5 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-propan-2-ylacetamide is sourced from PubChem (CID 166408899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).