2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide

C11H20N4O — CID 79236503

IUPAC2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
SMILESCc1nn(C)c(C)c1CNCC(C)C(N)=O
InChIInChI=1S/C11H20N4O/c1-7(11(12)16)5-13-6-10-8(2)14-15(4)9(10)3/h7,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyABHYGBRRBZBRRA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.25
Rot. Bonds5

About 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide

2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide (PubChem CID 79236503) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
PubChem CID79236503
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
SMILESCc1nn(C)c(C)c1CNCC(C)C(N)=O
InChIInChI=1S/C11H20N4O/c1-7(11(12)16)5-13-6-10-8(2)14-15(4)9(10)3/h7,13H,5-6H2,1-4H3,(H2,12,16)
InChIKeyABHYGBRRBZBRRA-UHFFFAOYSA-N
XLogP0.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
2,2-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 78958688
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
CID 79237085
2-phenyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 79231907
methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]propanoate
CID 20964095
3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide
CID 43647869
2-hydroxy-2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanoic acid
CID 113436555
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanamide
CID 82881515
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
5-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]thiophene-3-carboxamide
CID 79613806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide (CID 79236503) is 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide is Cc1nn(C)c(C)c1CNCC(C)C(N)=O.
What is the InChIKey of 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is ABHYGBRRBZBRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(11(12)16)5-13-6-10-8(2)14-15(4)9(10)3/h7,13H,5-6H2,1-4H3,(H2,12,16).
What are the key properties of 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 79236503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).