ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate

C14H25N3O2 — CID 114536496

IUPACethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNCCCn1nc(C)cc1C
InChIInChI=1S/C14H25N3O2/c1-5-19-14(18)11(2)10-15-7-6-8-17-13(4)9-12(3)16-17/h9,11,15H,5-8,10H2,1-4H3
InChIKeyOEKCZXLAGNKUTM-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.68
Rot. Bonds8

About ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate

ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate (PubChem CID 114536496) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
PubChem CID114536496
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNCCCn1nc(C)cc1C
InChIInChI=1S/C14H25N3O2/c1-5-19-14(18)11(2)10-15-7-6-8-17-13(4)9-12(3)16-17/h9,11,15H,5-8,10H2,1-4H3
InChIKeyOEKCZXLAGNKUTM-UHFFFAOYSA-N
XLogP1.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-3-hydroxybutanoate
CID 103266908
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666
N-butyl-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]acetamide
CID 115573473
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
2-(3,5-dimethylpyrazol-1-yl)ethyl 2-methylbutanoate
CID 134460631
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetate
CID 115571558
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate
CID 129359467
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate (CID 114536496) is ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate is CCOC(=O)C(C)CNCCCn1nc(C)cc1C.
What is the InChIKey of ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate?
The InChIKey is OEKCZXLAGNKUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-19-14(18)11(2)10-15-7-6-8-17-13(4)9-12(3)16-17/h9,11,15H,5-8,10H2,1-4H3.
What are the key properties of ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate?
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate has a molecular weight of 267.37 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate is sourced from PubChem (CID 114536496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).