ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate

C12H21N3O2 — CID 83093864

IUPACethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
SMILESCCOC(=O)CC(c1cn(C)nc1C)N(C)C
InChIInChI=1S/C12H21N3O2/c1-6-17-12(16)7-11(14(3)4)10-8-15(5)13-9(10)2/h8,11H,6-7H2,1-5H3
InChIKeyAODMAKHXDDCQNN-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.28
Rot. Bonds5

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

ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate (PubChem CID 83093864) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
PubChem CID83093864
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Nameethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
SMILESCCOC(=O)CC(c1cn(C)nc1C)N(C)C
InChIInChI=1S/C12H21N3O2/c1-6-17-12(16)7-11(14(3)4)10-8-15(5)13-9(10)2/h8,11H,6-7H2,1-5H3
InChIKeyAODMAKHXDDCQNN-UHFFFAOYSA-N
XLogP1.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 64541804
ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
CID 83095163
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
methyl (3R)-3-amino-3-(3-ethyl-1-methylpyrazol-4-yl)propanoate
CID 103955778
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
ethyl 2-(cycloheptylamino)-2-(1,3-dimethylpyrazol-4-yl)acetate
CID 83091200
ethyl 2-(1,3-dimethylpyrazol-4-yl)-2-(2-methylanilino)acetate
CID 83091037
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
ethyl (3S)-3-(1,3-dimethylpyrazol-4-yl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]propanoate
CID 95858868
ethyl 6-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 122150645

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate (CID 83093864) is ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate is CCOC(=O)CC(c1cn(C)nc1C)N(C)C.
What is the InChIKey of ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate?
The InChIKey is AODMAKHXDDCQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-6-17-12(16)7-11(14(3)4)10-8-15(5)13-9(10)2/h8,11H,6-7H2,1-5H3.
What are the key properties of ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate?
ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate has a molecular weight of 239.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate is sourced from PubChem (CID 83093864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).