2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide

C13H16N4O — CID 79583885

IUPAC2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(C(Nc2ccccc2)C(N)=O)cnn1C
InChIInChI=1S/C13H16N4O/c1-9-11(8-15-17(9)2)12(13(14)18)16-10-6-4-3-5-7-10/h3-8,12,16H,1-2H3,(H2,14,18)
InChIKeyWRGDWJUJPAZYMV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.37
Rot. Bonds4

About 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide

2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 79583885) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide
PubChem CID79583885
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(C(Nc2ccccc2)C(N)=O)cnn1C
InChIInChI=1S/C13H16N4O/c1-9-11(8-15-17(9)2)12(13(14)18)16-10-6-4-3-5-7-10/h3-8,12,16H,1-2H3,(H2,14,18)
InChIKeyWRGDWJUJPAZYMV-UHFFFAOYSA-N
XLogP1.37
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide (CID 79583885) is 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide is Cc1c(C(Nc2ccccc2)C(N)=O)cnn1C.
What is the InChIKey of 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is WRGDWJUJPAZYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-11(8-15-17(9)2)12(13(14)18)16-10-6-4-3-5-7-10/h3-8,12,16H,1-2H3,(H2,14,18).
What are the key properties of 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide?
2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 244.30 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-2-(1,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 79583885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).