ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate

C11H19N3O2 — CID 83089230

IUPACethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1cn(C)nc1C
InChIInChI=1S/C11H19N3O2/c1-4-16-11(15)5-6-12-7-10-8-14(3)13-9(10)2/h8,12H,4-7H2,1-3H3
InChIKeyHBONHXPZUBXNQB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.77
Rot. Bonds6

About ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate

ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate (PubChem CID 83089230) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate
PubChem CID83089230
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)CCNCc1cn(C)nc1C
InChIInChI=1S/C11H19N3O2/c1-4-16-11(15)5-6-12-7-10-8-14(3)13-9(10)2/h8,12H,4-7H2,1-3H3
InChIKeyHBONHXPZUBXNQB-UHFFFAOYSA-N
XLogP0.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]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

ethyl 3-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]propanoate
CID 112668881
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-propan-2-ylpropanamide
CID 112705218
5-[(1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 103263035
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
ethyl 3-[(2,5-dimethylphenyl)methylamino]propanoate
CID 23052926
3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanenitrile
CID 83085525
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;dihydrochloride
CID 126964368
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 42352342

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate?
The IUPAC name of ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate (CID 83089230) is ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate?
The canonical SMILES for ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate is CCOC(=O)CCNCc1cn(C)nc1C.
What is the InChIKey of ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate?
The InChIKey is HBONHXPZUBXNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-16-11(15)5-6-12-7-10-8-14(3)13-9(10)2/h8,12H,4-7H2,1-3H3.
What are the key properties of ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate?
ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate has a molecular weight of 225.29 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate is sourced from PubChem (CID 83089230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).