N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide

C14H17N3O — CID 51071992

IUPACN-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
SMILESCC(=O)N(Cn1cccn1)c1c(C)cccc1C
InChIInChI=1S/C14H17N3O/c1-11-6-4-7-12(2)14(11)17(13(3)18)10-16-9-5-8-15-16/h4-9H,10H2,1-3H3
InChIKeyJXUANMZOSNWAMI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds3

About N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide

N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide (PubChem CID 51071992) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
PubChem CID51071992
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
SMILESCC(=O)N(Cn1cccn1)c1c(C)cccc1C
InChIInChI=1S/C14H17N3O/c1-11-6-4-7-12(2)14(11)17(13(3)18)10-16-9-5-8-15-16/h4-9H,10H2,1-3H3
InChIKeyJXUANMZOSNWAMI-UHFFFAOYSA-N
XLogP2.51
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide (CID 51071992) is N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide is CC(=O)N(Cn1cccn1)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The InChIKey is JXUANMZOSNWAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-11-6-4-7-12(2)14(11)17(13(3)18)10-16-9-5-8-15-16/h4-9H,10H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide is sourced from PubChem (CID 51071992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).