N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide

C15H19N3O — CID 766972

IUPACN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C15H19N3O/c1-9-6-7-14(8-10(9)2)18-12(4)15(11(3)17-18)16-13(5)19/h6-8H,1-5H3,(H,16,19)
InChIKeyPPIYTOBGOMPZTJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.06
Rot. Bonds2

About N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 766972) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID766972
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCC(=O)Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C
InChIInChI=1S/C15H19N3O/c1-9-6-7-14(8-10(9)2)18-12(4)15(11(3)17-18)16-13(5)19/h6-8H,1-5H3,(H,16,19)
InChIKeyPPIYTOBGOMPZTJ-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 766972) is N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide is CC(=O)Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is PPIYTOBGOMPZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-6-7-14(8-10(9)2)18-12(4)15(11(3)17-18)16-13(5)19/h6-8H,1-5H3,(H,16,19).
What are the key properties of N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 257.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 766972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).