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

C14H17N3O2 — CID 53434808

IUPACN-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)CO
InChIInChI=1S/C14H17N3O2/c1-11-5-3-6-12(2)14(11)17(13(19)9-18)10-16-8-4-7-15-16/h3-8,18H,9-10H2,1-2H3
InChIKeyIQUFNHHHOOCCDU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.48
Rot. Bonds4

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

N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide (PubChem CID 53434808) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide
PubChem CID53434808
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide
SMILESCc1cccc(C)c1N(Cn1cccn1)C(=O)CO
InChIInChI=1S/C14H17N3O2/c1-11-5-3-6-12(2)14(11)17(13(19)9-18)10-16-8-4-7-15-16/h3-8,18H,9-10H2,1-2H3
InChIKeyIQUFNHHHOOCCDU-UHFFFAOYSA-N
XLogP1.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide (CID 53434808) is N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide is Cc1cccc(C)c1N(Cn1cccn1)C(=O)CO.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide?
The InChIKey is IQUFNHHHOOCCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-11-5-3-6-12(2)14(11)17(13(19)9-18)10-16-8-4-7-15-16/h3-8,18H,9-10H2,1-2H3.
What are the key properties of N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide?
N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-hydroxy-N-(pyrazol-1-ylmethyl)acetamide is sourced from PubChem (CID 53434808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).