ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate

C12H21N3O2 — CID 79595467

IUPACethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OCC)c1cnn(C)c1C
InChIInChI=1S/C12H21N3O2/c1-5-13-11(7-12(16)17-6-2)10-8-14-15(4)9(10)3/h8,11,13H,5-7H2,1-4H3
InChIKeyICXAODMMNJQYPY-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.33
Rot. Bonds6

About ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate

ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate (PubChem CID 79595467) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
PubChem CID79595467
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nameethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
SMILESCCNC(CC(=O)OCC)c1cnn(C)c1C
InChIInChI=1S/C12H21N3O2/c1-5-13-11(7-12(16)17-6-2)10-8-14-15(4)9(10)3/h8,11,13H,5-7H2,1-4H3
InChIKeyICXAODMMNJQYPY-UHFFFAOYSA-N
XLogP1.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)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-(1,5-dimethylpyrazol-4-yl)-3-(propylamino)propanoate
CID 79595786
ethyl (3R)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoate
CID 79584174
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152645
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
(3S)-3-amino-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79583983
3-(dimethylamino)-3-(1,5-dimethylpyrazol-4-yl)propanoic acid
CID 79595015
1-(1,5-dimethylpyrazol-4-yl)-N-(2-ethoxyethyl)ethanamine
CID 115970494
2-chloro-2-(1,5-dimethylpyrazol-4-yl)-N-ethylacetamide
CID 79584700
(3S)-3-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 79584929
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 105118243

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate?
The IUPAC name of ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate (CID 79595467) is ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate.
What is the SMILES notation for ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate?
The canonical SMILES for ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate is CCNC(CC(=O)OCC)c1cnn(C)c1C.
What is the InChIKey of ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate?
The InChIKey is ICXAODMMNJQYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-13-11(7-12(16)17-6-2)10-8-14-15(4)9(10)3/h8,11,13H,5-7H2,1-4H3.
What are the key properties of ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate?
ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate has a molecular weight of 239.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate is sourced from PubChem (CID 79595467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).