ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate

C11H18N2O2 — CID 23025067

IUPACethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate
SMILESCCCc1[nH]ncc1CCC(=O)OCC
InChIInChI=1S/C11H18N2O2/c1-3-5-10-9(8-12-13-10)6-7-11(14)15-4-2/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyFJYNEZYHEYDXAW-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.86
Rot. Bonds6

About ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate

ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate (PubChem CID 23025067) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate
PubChem CID23025067
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate
SMILESCCCc1[nH]ncc1CCC(=O)OCC
InChIInChI=1S/C11H18N2O2/c1-3-5-10-9(8-12-13-10)6-7-11(14)15-4-2/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyFJYNEZYHEYDXAW-UHFFFAOYSA-N
XLogP1.86
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate?
The IUPAC name of ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate (CID 23025067) is ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate is CCCc1[nH]ncc1CCC(=O)OCC.
What is the InChIKey of ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate?
The InChIKey is FJYNEZYHEYDXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-10-9(8-12-13-10)6-7-11(14)15-4-2/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate?
ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-propyl-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 23025067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).