N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide

C11H19N3O — CID 18419639

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)nn1C
InChIInChI=1S/C11H19N3O/c1-6-11(3,4)10(15)12-9-7-8(2)13-14(9)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyFLLVXKQMRSDERF-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.10
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide

N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide (PubChem CID 18419639) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide
PubChem CID18419639
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)Nc1cc(C)nn1C
InChIInChI=1S/C11H19N3O/c1-6-11(3,4)10(15)12-9-7-8(2)13-14(9)5/h7H,6H2,1-5H3,(H,12,15)
InChIKeyFLLVXKQMRSDERF-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide (CID 18419639) is N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide is CCC(C)(C)C(=O)Nc1cc(C)nn1C.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide?
The InChIKey is FLLVXKQMRSDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-6-11(3,4)10(15)12-9-7-8(2)13-14(9)5/h7H,6H2,1-5H3,(H,12,15).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide?
N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 18419639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).