2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide

C15H18ClN3O — CID 13324365

IUPAC2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide
SMILESCc1cnn(CN(C(=O)CCl)c2c(C)cccc2C)c1
InChIInChI=1S/C15H18ClN3O/c1-11-8-17-18(9-11)10-19(14(20)7-16)15-12(2)5-4-6-13(15)3/h4-6,8-9H,7,10H2,1-3H3
InChIKeyVFNRTBYBOMVFJT-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide

2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide (PubChem CID 13324365) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide
PubChem CID13324365
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide
SMILESCc1cnn(CN(C(=O)CCl)c2c(C)cccc2C)c1
InChIInChI=1S/C15H18ClN3O/c1-11-8-17-18(9-11)10-19(14(20)7-16)15-12(2)5-4-6-13(15)3/h4-6,8-9H,7,10H2,1-3H3
InChIKeyVFNRTBYBOMVFJT-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide (CID 13324365) is 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide is Cc1cnn(CN(C(=O)CCl)c2c(C)cccc2C)c1.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide?
The InChIKey is VFNRTBYBOMVFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-11-8-17-18(9-11)10-19(14(20)7-16)15-12(2)5-4-6-13(15)3/h4-6,8-9H,7,10H2,1-3H3.
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide?
2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide has a molecular weight of 291.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide is sourced from PubChem (CID 13324365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).