2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide

C15H19N3O — CID 166204960

IUPAC2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCc2cc(C)[nH]n2)c1
InChIInChI=1S/C15H19N3O/c1-10-4-5-11(2)13(6-10)8-15(19)16-9-14-7-12(3)17-18-14/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRHXWWHNDBXNJQW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide

2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide (PubChem CID 166204960) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
PubChem CID166204960
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCc2cc(C)[nH]n2)c1
InChIInChI=1S/C15H19N3O/c1-10-4-5-11(2)13(6-10)8-15(19)16-9-14-7-12(3)17-18-14/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyRHXWWHNDBXNJQW-UHFFFAOYSA-N
XLogP2.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide (CID 166204960) is 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide is Cc1ccc(C)c(CC(=O)NCc2cc(C)[nH]n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
The InChIKey is RHXWWHNDBXNJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-4-5-11(2)13(6-10)8-15(19)16-9-14-7-12(3)17-18-14/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide?
2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(5-methyl-1H-pyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 166204960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).