methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate

C11H17N3O3 — CID 65442025

IUPACmethyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOC(=O)C(Cn1nc(C)cc1C)NC(C)=O
InChIInChI=1S/C11H17N3O3/c1-7-5-8(2)14(13-7)6-10(11(16)17-4)12-9(3)15/h5,10H,6H2,1-4H3,(H,12,15)
InChIKeyKZMDXAZAOFQBIY-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.18
Rot. Bonds4

About methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate

methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 65442025) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID65442025
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCOC(=O)C(Cn1nc(C)cc1C)NC(C)=O
InChIInChI=1S/C11H17N3O3/c1-7-5-8(2)14(13-7)6-10(11(16)17-4)12-9(3)15/h5,10H,6H2,1-4H3,(H,12,15)
InChIKeyKZMDXAZAOFQBIY-UHFFFAOYSA-N
XLogP0.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate 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

methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
methyl 2-acetamido-3-(3-methylpyrazol-1-yl)propanoate
CID 65442631
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoic acid
CID 845395
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
methyl 2-acetamido-3-(benzotriazol-1-yl)propanoate
CID 65441830
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate (CID 65442025) is methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate is COC(=O)C(Cn1nc(C)cc1C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is KZMDXAZAOFQBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-5-8(2)14(13-7)6-10(11(16)17-4)12-9(3)15/h5,10H,6H2,1-4H3,(H,12,15).
What are the key properties of methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate?
methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 65442025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).