ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate

C11H19N3O2 — CID 104700571

IUPACethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cn(C)nc1CC
InChIInChI=1S/C11H19N3O2/c1-5-9-10(7-14(4)13-9)12-8(3)11(15)16-6-2/h7-8,12H,5-6H2,1-4H3
InChIKeyFSOOHLBYFLNPPH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.35
Rot. Bonds5

About ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate

ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate (PubChem CID 104700571) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
PubChem CID104700571
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Nameethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cn(C)nc1CC
InChIInChI=1S/C11H19N3O2/c1-5-9-10(7-14(4)13-9)12-8(3)11(15)16-6-2/h7-8,12H,5-6H2,1-4H3
InChIKeyFSOOHLBYFLNPPH-UHFFFAOYSA-N
XLogP1.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
N-cyclopropyl-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanamide
CID 104934563
3-ethyl-1-methyl-N-pentan-2-ylpyrazol-4-amine
CID 115923160
N-(1,1-dimethoxypropan-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 107462393
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
3-ethyl-1-methyl-N-(2-methylpentan-3-yl)pyrazol-4-amine
CID 115923153
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 107462767
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methoxypropanamide
CID 107463127
3-ethyl-1-methyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115923177

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate (CID 104700571) is ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate is CCOC(=O)C(C)Nc1cn(C)nc1CC.
What is the InChIKey of ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate?
The InChIKey is FSOOHLBYFLNPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-9-10(7-14(4)13-9)12-8(3)11(15)16-6-2/h7-8,12H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate?
ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate has a molecular weight of 225.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate is sourced from PubChem (CID 104700571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).