ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate

C15H26N2O2 — CID 79220548

IUPACethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate
SMILESCCCCn1nc(CC)c(CC(=O)OCC)c1CC
InChIInChI=1S/C15H26N2O2/c1-5-9-10-17-14(7-3)12(13(6-2)16-17)11-15(18)19-8-4/h5-11H2,1-4H3
InChIKeyQLXVEPAXIUIVHK-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.91
Rot. Bonds8

About ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate

ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate (PubChem CID 79220548) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate
PubChem CID79220548
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Nameethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate
SMILESCCCCn1nc(CC)c(CC(=O)OCC)c1CC
InChIInChI=1S/C15H26N2O2/c1-5-9-10-17-14(7-3)12(13(6-2)16-17)11-15(18)19-8-4/h5-11H2,1-4H3
InChIKeyQLXVEPAXIUIVHK-UHFFFAOYSA-N
XLogP2.91
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(4-amino-3,5-diethylpyrazol-1-yl)hexanoate
CID 82702685
1-butyl-4-(chloromethyl)-3,5-diethylpyrazole
CID 82700348
ethyl 2-(3,5-dimethyl-1-propylpyrazol-4-yl)acetate
CID 61381131
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanol
CID 82698165
[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]methanamine
CID 104649614
1-butyl-3,5-diethylpyrazole-4-sulfonamide
CID 82700722
1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
2-[1-(2-cyanoethyl)-3,5-diethylpyrazol-4-yl]acetic acid
CID 79219937
2-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]ethanamine
CID 82699797
1-butyl-4-(1-chloroethyl)-3,5-diethylpyrazole
CID 82699491
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
CID 82698914
2-[1-(2-ethoxy-2-oxoethyl)-4,6-diethyl-2-oxopyrimidin-5-yl]acetic acid
CID 79219636

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate?
The IUPAC name of ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate (CID 79220548) is ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate?
The canonical SMILES for ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate is CCCCn1nc(CC)c(CC(=O)OCC)c1CC.
What is the InChIKey of ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate?
The InChIKey is QLXVEPAXIUIVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-9-10-17-14(7-3)12(13(6-2)16-17)11-15(18)19-8-4/h5-11H2,1-4H3.
What are the key properties of ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate?
ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate has a molecular weight of 266.38 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-butyl-3,5-diethylpyrazol-4-yl)acetate is sourced from PubChem (CID 79220548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).