N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide

C13H21N3O — CID 168788100

IUPACN-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide
SMILESCn1ncc(C2CC2)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-13(2,3)12(17)14-8-11-10(9-5-6-9)7-15-16(11)4/h7,9H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyLMRIZUYYLPGEOD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.96
Rot. Bonds3

About N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide

N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 168788100) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide
PubChem CID168788100
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide
SMILESCn1ncc(C2CC2)c1CNC(=O)C(C)(C)C
InChIInChI=1S/C13H21N3O/c1-13(2,3)12(17)14-8-11-10(9-5-6-9)7-15-16(11)4/h7,9H,5-6,8H2,1-4H3,(H,14,17)
InChIKeyLMRIZUYYLPGEOD-UHFFFAOYSA-N
XLogP1.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide 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-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide (CID 168788100) is N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide is Cn1ncc(C2CC2)c1CNC(=O)C(C)(C)C.
What is the InChIKey of N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is LMRIZUYYLPGEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)12(17)14-8-11-10(9-5-6-9)7-15-16(11)4/h7,9H,5-6,8H2,1-4H3,(H,14,17).
What are the key properties of N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide?
N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 235.33 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168788100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).